Sugi Predict

Sugi Predict / Compounds / SCHEMBL622035

SCHEMBL622035

SCHEMBL622035

COc1ccc(F)c(CC#N)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ MTNR1B P49286 2/20 0.45
▸ ADRA1A P35348 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL31485694 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3MTNR1BADRA1A
SCHEMBL3992460 0.86 KDM1A (0.42) CHRM2CHRM1CHRM3ADRA1ATAAR1
SCHEMBL31391957 0.86 KDM1A (0.42) CHRM2CHRM1CHRM3ADRA1ATAAR1
SCHEMBL11474043 0.83 APLNR (0.43) ADRA1ATAAR1GAAALDH1A1MEN1
SCHEMBL27634255 0.81 MTNR1B (0.39) MTNR1BGAAALDH1A1
SCHEMBL16480388 0.80 HSD17B10 (0.41) ADRA1ATAAR1GAAALDH1A1MEN1
SCHEMBL11825653 0.80 IDO1 (0.56) MTNR1BADRA1ATAAR1IDO1
SCHEMBL30861233 0.80 IDO1 (0.56) MTNR1BADRA1ATAAR1IDO1
SCHEMBL31051591 0.79 MTNR1B (0.51) CHRM2CHRM1CHRM3MTNR1BADRA1A
SCHEMBL378823 0.79 MTNR1B (0.51) CHRM2CHRM1CHRM3MTNR1BADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024174980-A1 COMPOUND CONTAINING DIHYDROPHTHALAZINE AND ALKENYL AND USE THEREOF 正大天晴药业集团股份有限公司 2024-08-29 — — WO disclosed
CN-118221563-A Synthesis method of 2-aryl indole 南京工业大学 2024-06-21 — — CN disclosed
CN-116283701-A Compounds having the structure 4- (substituted aminomethyl) -5-neopentyl-N-substituted pyrrolidine-2-carboxamide 中国科学院上海药物研究所 2023-06-23 — — CN disclosed
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 — — EP disclosed
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 — — EP disclosed
US-10087172-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-10-02 — — US disclosed
US-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS VERTEX PHARMACEUTICALS INCORPORATED 2018-09-06 — — US disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 — — EP disclosed
EP-2922850-B1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-07-18 — — EP disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 — — US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 — — US disclosed
EP-2671869-A1 TETRAHYDROISOQUINOLINE DERIVATIVE Astellas Pharma Inc. (JP) 2013-12-11 — — EP disclosed
US-20130317010-A1 TETRAHYDROISOQUINOLINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2013-11-28 — — US disclosed
EP-2603487-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2013-06-19 — — EP disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 — — US disclosed
WO-2012020130-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 — — WO disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 — — US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 — — 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 (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-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT CHRM2 1474/4885CHRM1 1905/4885CHRM3 837/4885
US-10087172-B2 Compounds and their methods of use GLS, GLS2, GLUL CHRM2 4786/4885CHRM1 4805/4885CHRM3 4807/4885
US-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS HSD17B4, CPT1A, ADH1A CHRM2 2922/4885CHRM1 2989/4885CHRM3 2976/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 CHRM2 13/4885CHRM1 5/4885CHRM3 150/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL CHRM2 4880/4885CHRM1 4885/4885CHRM3 4862/4885
US-20130317010-A1 TETRAHYDROISOQUINOLINE DERIVATIVE HTR5A, HTR2A, HTR1A CHRM2 540/4885CHRM1 234/4885CHRM3 328/4885

“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.