Sugi Predict

Sugi Predict / Compounds / SCHEMBL12797375

SCHEMBL12797375

SCHEMBL12797375

CN[C@H](COC)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.52
▸ TAAR1 Q96RJ0 4/20 0.52
▸ SLC18A2 Q05940 1/20 0.52
▸ EPHX1 P07099 1/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ OPRM1 P35372 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
SCHEMBL4451006 1.00 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2EPHX1CYP2D6
SCHEMBL12639979 1.00 SIGMAR1 (0.52) SIGMAR1TAAR1SLC18A2EPHX1CYP2D6
SCHEMBL30880297 0.90 SLC6A4 (0.47) SIGMAR1TAAR1SLC18A2SLC6A4
SCHEMBL1697045 0.83 SIGMAR1 (0.64) SIGMAR1TAAR1SLC18A2EPHX1CYP2D6
SCHEMBL13683313 0.83 EPHX1 (0.43) SIGMAR1TAAR1SLC18A2EPHX1SLC6A2
SCHEMBL16252283 0.81 SIGMAR1 (0.47) SIGMAR1TAAR1SLC18A2EPHX1CYP2D6
SCHEMBL22267909 0.81 TAAR1 (0.48) SIGMAR1TAAR1SLC18A2EPHX1
SCHEMBL25590548 0.81 SIGMAR1 (0.55) SIGMAR1EPHX1SLC6A4
SCHEMBL13996950 0.81 SIGMAR1 (0.47) SIGMAR1TAAR1SLC18A2EPHX1CYP2D6
SCHEMBL19290141 0.81 SIGMAR1 (0.55) SIGMAR1EPHX1SLC6A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3953334-B1 NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE BRISTOL MYERS SQUIBB CO (US) 2023-11-22 — — EP disclosed
US-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation THE SCRIPPS RESEARCH INSTITUTE 2019-10-17 — — US disclosed
US-8889712-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 — — US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 — — US disclosed
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 — — WO disclosed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 — — US disclosed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 — — US disclosed
US-7381727-B2 Pyrrole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-03 — — US disclosed
US-7381727-B2 Pyrrole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-03 — — US disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 — — US disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 — — US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 — — US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 — — 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 (6 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SIGMAR1 720/4885TAAR1 314/4885SLC18A2 2125/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SIGMAR1 425/4885TAAR1 220/4885SLC18A2 1662/4885
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF PYCR1, FARS2, WEE1 SIGMAR1 2791/4885TAAR1 3620/4885SLC18A2 2759/4885
US-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation POLQ, AP3D1, AP3S1 SIGMAR1 515/4885TAAR1 1286/4885SLC18A2 1528/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 SIGMAR1 4380/4885TAAR1 3834/4885SLC18A2 4596/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR SIGMAR1 1297/4885TAAR1 1507/4885SLC18A2 3599/4885

“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.

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