SCHEMBL2782

SCHEMBL2782

NCCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAOA P21397 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IDO1 P14902 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
AGXT P21549 1/20 0.46
NAAA Q02083 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL26812986 0.96 TSHR (0.54) TSHRMAOATDP1L3MBTL1IDO1
SCHEMBL26922382 0.96 TSHR (0.54) TSHRMAOATDP1L3MBTL1IDO1
SCHEMBL26813047 0.96 TSHR (0.54) TSHRMAOATDP1L3MBTL1IDO1
Hydrochloric Acid SCHEMBL28855430 0.94 TSHR (0.52) TSHRMAOATDP1L3MBTL1IDO1
SCHEMBL4574564 0.94 TSHR (0.56) TSHRMAOATDP1L3MBTL1IDO1
SCHEMBL8893085 0.92 L3MBTL1 (0.54) TSHRMAOATDP1L3MBTL1IDO1
SCHEMBL4230078 0.92 L3MBTL1 (0.54) TSHRMAOATDP1L3MBTL1IDO1
SCHEMBL6268086 0.92 L3MBTL1 (0.54) TSHRMAOATDP1L3MBTL1IDO1
SCHEMBL15923248 0.92 L3MBTL1 (0.54) TSHRMAOATDP1L3MBTL1IDO1
Hydrochloric Acid SCHEMBL9781752 0.90 L3MBTL1 (0.53) TSHRMAOATDP1L3MBTL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1870396-B1 BENZYLOXYPROPYLAMINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2012-10-31 EP claimed
US-7939552-B2 Tachykinin receptor anatgonist; good transfer into blood; long half-life; stability; bradycardial agents; antiinflammatory agents ; antallergens; analgesics; antiemetics; irritable bowel disorders; skin disorders; antidepressants; antiischemic agents ; anxiolytic agents; autoimmune diseases; muscle relax NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-05-10 US claimed
US-20080262230-A1 Benzyloxypropylamine Derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2008-10-23 US claimed
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs YALE UNIVERSITY (US) 2008-07-10 US claimed
EP-1870396-A1 BENZYLOXYPROPYLAMINE DERIVATIVE Nippon Zoki Pharmaceutical Co. Ltd. (JP) 2007-12-26 EP claimed
WO-2005107742-A1 NOVEL ANTIVIRAL HELIOXANTHIN ANALOGS YALE UNIVERSITY (US) 2005-11-17 WO claimed
US-20260085067-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO INC (US) 2026-03-26 US disclosed
EP-4587437-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059563-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2024-03-21 WO disclosed
EP-4284365-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2023-12-06 EP disclosed
US-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2023-03-30 US disclosed
WO-2023284837-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF 四川海思科制药有限公司 2023-01-19 WO disclosed
CN-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed
EP-0039482-B1 PERYLENE-3,4,9,10-TETRACARBOXYLIC ACID MONOANHYDRIDE-MONOIMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed
EP-0039482-A2 Perylene-3,4,9,10-tetracarboxylic acid monoanhydride-monoimides, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-11 EP disclosed
US-4249003-A Process for polycyclic amines AKTIEBOLAGET LEO (SE) 1981-02-03 US disclosed
US-4249002-A Polycyclic amines and intermediates therefor AKTIEBOLAGET LEO (SE) 1981-02-03 US disclosed
US-4157893-A MONO OR DISAZO DYE CONTAINING AN AMINO-SUBSTITUTED PYRIMIDINE RING BASF AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed
US-4150943-A Uniformly dyed water-swellable cellulosic fibers BASF AKTIENGESELLSCHAFT (DE) 1979-04-24 US disclosed
US-4146535-A Azo dyes having a 3-cyano- or 3-carbamoyl-2,6-diamino-pyridine coupling component BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 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 (4 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-20230097678-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1S, C1R, F12 TSHR 821/4885MAOA 867/4885TDP1 4642/4885
US-20260085067-A1 CYCLIC SULFONAMIDE RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF RRM1, RRM2B, RRM2 TSHR 76/4885MAOA 1416/4885TDP1 802/4885
US-20080262230-A1 Benzyloxypropylamine Derivative BDKRB2, BDKRB1, PNMT TSHR 1236/4885MAOA 1332/4885TDP1 2726/4885
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs HAVCR2, ZC3HAV1, DHX35 TSHR 4409/4885MAOA 4432/4885TDP1 923/4885

“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.