SCHEMBL872220

SCHEMBL872220

NC(c1ccccc1)C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKT2 P31751 1/20 0.42
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
OPRL1 P41146 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2677106 1.00 IDO1 (0.50) IDO1DPP4F2GAAL3MBTL1
SCHEMBL11885874 1.00 IDO1 (0.50) IDO1DPP4F2GAAL3MBTL1
Hydrochloric Acid SCHEMBL15921932 0.98 IDO1 (0.52) IDO1DPP4F2GAAL3MBTL1
Hydrochloric Acid SCHEMBL20721271 0.98 IDO1 (0.52) IDO1DPP4F2GAAL3MBTL1
Hydrochloric Acid SCHEMBL16321038 0.98 IDO1 (0.52) IDO1DPP4F2GAAL3MBTL1
SCHEMBL20721292 0.95 IDO1 (0.55) IDO1DPP4F2GAAL3MBTL1
SCHEMBL295253 0.95 IDO1 (0.55) IDO1DPP4F2GAAL3MBTL1
SCHEMBL2677194 0.95 IDO1 (0.55) IDO1DPP4F2GAAL3MBTL1
SCHEMBL24742273 0.93 IDO1 (0.58) IDO1DPP4F2GAAL3MBTL1
SCHEMBL20721161 0.93 IDO1 (0.58) IDO1DPP4F2GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059745-A2 N-METHYL-D-ASPARTATE RECEPTOR (NMDAR) ANTAGONISTS AND USES THEREOF BEXSON BIOMEDICAL, INC. (US) 2024-03-21 WO disclosed
WO-2023250439-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
WO-2023250439-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 US disclosed
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2021-11-11 US disclosed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 US disclosed
EP-2797870-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING 1-[1-PHENYL-CYCLOBUTYL]ISOBUTYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives Revivia Pharmaceuticals, Inc. (US) 2018-07-31 US disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2018-05-10 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
EP-1937659-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US disclosed
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US disclosed
WO-2007039173-A1 CYCLIC N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 WO 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 (7 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-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists TACR3, GRIK3, TACR2 IDO1 1081/4885DPP4 557/4885F2 4701/4885
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives PNMT, HTR6, COMT IDO1 74/4885DPP4 95/4885F2 1768/4885
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD IDO1 3012/4885DPP4 1811/4885F2 4127/4885
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF PPARD, GPR119, PPARG IDO1 3127/4885DPP4 1400/4885F2 2724/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD IDO1 3012/4885DPP4 1811/4885F2 4127/4885
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT IDO1 74/4885DPP4 95/4885F2 1768/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD IDO1 3012/4885DPP4 1811/4885F2 4127/4885

“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.