SCHEMBL3609322

SCHEMBL3609322

COC(=O)C1NCCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
OPRM1 P35372 8/20 0.49
OPRK1 P41145 1/20 0.49
GID4 Q8IVV7 1/20 0.49
PRCP P42785 3/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.46
RECQL P46063 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL18085727 1.00 TSHR (0.65) TSHRNPSR1OPRM1OPRK1GID4
SCHEMBL31569203 1.00 TSHR (0.65) TSHRNPSR1OPRM1OPRK1GID4
SCHEMBL18085742 1.00 TSHR (0.65) TSHRNPSR1OPRM1OPRK1GID4
Hydrochloric Acid SCHEMBL19953653 0.98 TSHR (0.68) TSHRNPSR1OPRM1OPRK1GID4
Hydrochloric Acid SCHEMBL1149802 0.98 TSHR (0.68) TSHRNPSR1OPRM1OPRK1GID4
SCHEMBL26998916 0.84 TSHR (0.44) TSHRNPSR1OPRM1OPRK1SLC6A2
SCHEMBL4143242 0.84 TSHR (0.44) TSHRNPSR1OPRM1OPRK1SLC6A2
SCHEMBL23119015 0.84 TSHR (0.60) TSHRNPSR1OPRM1OPRK1PRCP
SCHEMBL30442509 0.84 TSHR (0.60) TSHRNPSR1OPRM1OPRK1GID4
SCHEMBL7694988 0.84 TSHR (0.60) TSHRNPSR1OPRM1OPRK1GID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP disclosed
US-9802934-B2 Process for the synthesis of (R)-praziquantel TONGLI BIOMEDICAL CO., LTD. (CN) 2017-10-31 US disclosed
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP disclosed
US-9657017-B2 Crystal form of (R)-praziquantel and preparation method and application thereof TONGLI BIOMEDICAL CO., LTD. (CN) 2017-05-23 US disclosed
US-20170121330-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (R)-PRAZIQUANTEL TONGLI BIOMEDICAL CO., LTD (CN) 2017-05-04 US disclosed
US-20160272636-A1 CRYSTAL FORM OF (R)-PRAZIQUANTEL AND PREPARATION METHOD AND APPLICATION THEREOF TONGLI BIOMEDICAL CO., LTD (CN) 2016-09-22 US disclosed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 US disclosed
WO-2009117283-A2 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-09-24 WO disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP disclosed
EP-1200375-B1 NITRATION IN A STATIC MICROMIXER MERCK PATENT GMBH (DE) 2004-09-22 EP disclosed
EP-1200375-A2 NITRATION IN A STATIC MICROMIXER MERCK PATENT GmbH (DE) 2002-05-02 EP disclosed
WO-2001009065-A2 NITRATION IN A STATIC MICROMIXER MERCK PATENT GMBH (DE) 2001-02-08 WO disclosed
US-4404206-A HYPOTENSIVE AND CARDIOTONIC AGENTS SCIENCE UNION ET CIE (FR) 1983-09-13 US disclosed
EP-0049658-A1 Substituted imino diacids, their preparation and pharmaceutical preparations containing them ADIR (FR) 1982-04-14 EP disclosed
EP-0031741-A1 Substituted imino-acids, process for their preparation and their use as enzyme inhibitors SCIENCE UNION ET Cie SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1981-07-08 EP 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 (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-20170121330-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (R)-PRAZIQUANTEL COASY, CYP3A4, CYP4B1 TSHR 3824/4885NPSR1 2715/4885OPRM1 1962/4885
US-20160272636-A1 CRYSTAL FORM OF (R)-PRAZIQUANTEL AND PREPARATION METHOD AND APPLICATION THEREOF CYP2C9, CYP1A2, CYP4B1 TSHR 1879/4885NPSR1 2982/4885OPRM1 768/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 TSHR 4574/4885NPSR1 4601/4885OPRM1 3487/4885

“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.