SCHEMBL443143

SCHEMBL443143

O=C1Cc2c[c]ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.53
PDK2 Q15119 1/20 0.53
CMA1 P23946 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
EIF2AK2 P19525 1/20 0.42
EPHX2 P34913 1/20 0.40
PGR P06401 4/20 0.39
GRIA1 P42261 2/20 0.39
CACNG8 Q8WXS5 2/20 0.39
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL1097748 0.84 AHR (0.53) AHRPDK2CMA1PDE3BPDE3A
SCHEMBL986343 0.82 NPC1 (0.55) AHRPDK2PDE3BPDE3ANPC1
SCHEMBL8556611 0.79 MAPT (0.58) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL27459742 0.73 TDP2 (0.56) TDP2CASP3CASP7CASP9CASP6
SCHEMBL1744832 0.73 PDE3B (0.46) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL16907887 0.72 AHR (0.48) AHRPDK2CMA1PDE3BPDE3A
Oxindole SCHEMBL15636313 0.72 AHR (0.95) AHRPDK2CMA1PDE3BPDE3A
Oxindole SCHEMBL8866524 0.72 AHR (0.95) AHRPDK2CMA1PDE3BPDE3A
SCHEMBL3354520 0.72 CYP11B1 (0.41) PDE3BPDE3ACYP11B1CYP11B2MAOB
SCHEMBL910409 0.71 NPC1 (0.55) PDE3BPDE3ANPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201911-A Compounds and their use as GPR183 inhibitors 南京艾美斐生物医药科技有限公司 2024-06-14 CN claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
WO-2024073282-A2 HETEROCYCLES AS MODULATORS OF NSD ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-04 WO claimed
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US claimed
CN-113004278-B Bicyclic heterocycles as FGFR inhibitors 因赛特控股公司 2023-07-21 CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO claimed
WO-2023064195-A1 CGRP ANTAGONISTS FOR TREATING TRIGEMINAL NEURALGIA PFIZER IRELAND PHARMACEUTICALS (IE) 2023-04-20 WO claimed
WO-2023034467-A2 CGRP ANTAGONISTS FOR TREATING SKIN CONDITIONS PFIZER IRELAND PHARMACEUTICALS (IE) 2023-03-09 WO claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 EP claimed
US-5364877-A Antiinflammatory agents, antiallergens ICI PHARMA (GB) 1994-11-15 US claimed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO claimed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP claimed
US-5294619-A N-(nitrogen-containing heterocyclylalkyl-phenyl-piperidines PFIZER INC. (US) 1994-03-15 US claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
EP-0462831-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP claimed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP claimed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO claimed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 AHR 998/4885PDK2 3662/4885CMA1 960/4885
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite PLK1, HSP90B1, CEP170 AHR 1922/4885PDK2 1533/4885CMA1 723/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 AHR 1048/4885PDK2 3659/4885CMA1 924/4885

“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.