SCHEMBL2940745

SCHEMBL2940745

OC(CCl)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.48
CYP1A2 P05177 1/20 0.46
EPHX1 P07099 1/20 0.46
SRR Q9GZT4 2/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10577323 1.00 TRPA1 (0.48) TRPA1CYP1A2EPHX1SRRALPI
SCHEMBL15517655 0.87 SRR (0.50) CYP1A2SRRPTGS1TAAR1ALDH1A1
SCHEMBL10187479 0.87 SRR (0.50) CYP1A2SRRPTGS1TAAR1ALDH1A1
SCHEMBL28633253 0.87 SRR (0.50) CYP1A2SRRPTGS1TAAR1ALDH1A1
SCHEMBL1833635 0.85 TRPA1 (0.55) TRPA1CYP1A2EPHX1SRRALPI
SCHEMBL11824337 0.82 SLC6A4 (0.54) TRPA1MAOASLC6A4POLBTRPV1
SCHEMBL10187484 0.82 PPARG (0.54)
SCHEMBL1552840 0.82 PPARG (0.58) CYP1A2PTGS1SLC6A2MAOASLC6A3
SCHEMBL1552843 0.82 PPARG (0.58) CYP1A2PTGS1SLC6A2MAOASLC6A3
Ammonia Solution, Strong SCHEMBL29021310 0.82 TRPA1 (0.53) TRPA1CYP1A2EPHX1SRRALPI

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555013-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof THE USA, AS REPRESENTED BY THE SECRETARY, DHHS (US) 2023-01-17 US disclosed
EP-2964611-B1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF US HEALTH (US) 2022-10-19 EP disclosed
US-20210130288-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-05-06 US disclosed
US-10913711-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-09 US disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-10590074-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-03-17 US disclosed
US-20190185424-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2019-06-20 US disclosed
US-20180093947-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF US HEALTH (US) 2018-04-05 US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2008-09-11 US disclosed
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2008-09-11 US disclosed
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols THE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2008-09-11 US disclosed
US-20080207853-A1 Precatalysts useful in polyolefin polymerization reactions THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2008-08-28 US disclosed
WO-2008013949-A2 MOLECULAR DESIGN OF THERMOSTABLE ALCOHOL DEHYDROGENASE FOR SYNTHESIS FOR CHIRAL AROMATIC ALCOHOLS MICHIGAN STATE UNIVERSITY (US) 2008-01-31 WO disclosed
US-5011992-A Antiemetics BRISTOL-MYERS SQUIBB COMPANY (US) 1991-04-30 US disclosed
US-4820715-A TREATING NAUSEA AND GASTRIC DISORDERS BRISTOL-MYERS COMPANY (US) 1989-04-11 US disclosed
US-4808624-A ANTIEMETICS BRISTOL-MYERS COMPANY (US) 1989-02-28 US disclosed
US-3985808-A SECONDARY ALCOHOLS OR HALOHYDRINS REACTED WITH A HALOGEN LEVER BROTHERS COMPANY (US) 1976-10-12 US disclosed
US-3944568-A Process for the preparation of selectively halogenated ketals LEVER BROTHERS COMPANY (US) 1976-03-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190185424-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 TRPA1 3412/4885CYP1A2 580/4885EPHX1 2980/4885
US-10590074-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 TRPA1 3412/4885CYP1A2 580/4885EPHX1 2980/4885
US-20210130288-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 TRPA1 3412/4885CYP1A2 580/4885EPHX1 2980/4885
US-20080220487-A1 Molecular design of thermostable alcohol dehydrogenase for synthesis for chiral aromatic alcohols ADH5, ADH1C, ADH1A TRPA1 2952/4885CYP1A2 51/4885EPHX1 269/4885
US-11555013-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 TRPA1 3412/4885CYP1A2 580/4885EPHX1 2980/4885
US-20180093947-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 TRPA1 3412/4885CYP1A2 580/4885EPHX1 2980/4885
US-10913711-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 TRPA1 3412/4885CYP1A2 580/4885EPHX1 2980/4885
US-20080207853-A1 Precatalysts useful in polyolefin polymerization reactions PPOX, PORCN, PTGES TRPA1 2170/4885CYP1A2 634/4885EPHX1 1055/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.