Sugi Predict

Sugi Predict / Compounds / SCHEMBL1095100

SCHEMBL1095100

SCHEMBL1095100

COc1cccc(CCNC(=O)C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 7/20 0.62
▸ MTNR1B P49286 6/20 0.62
▸ CHRM2 P08172 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ CHRM3 P20309 1/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NQO2 P16083 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 1/20 0.56

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
SCHEMBL5073633 0.92 MTNR1A (0.71) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL12935919 0.87 MTNR1A (0.60) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL7643257 0.86 CNR1 (0.63) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL505546 0.86 ALDH1A1 (0.63) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL25183406 0.85 MTNR1A (0.54) MTNR1AMTNR1BCNR1NQO2
SCHEMBL17143946 0.84 ALDH1A1 (0.74) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL876345 0.82 MTNR1A (0.83) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL2205978 0.82 MTNR1A (0.65) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL3690675 0.82 MTNR1A (0.65) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL140038 0.82 SMN1; SMN2 (0.67) MTNR1AMTNR1BKMT2ANQO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 — — US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 — — US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
EP-2374796-B1 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its salts, solvates or hydrates and its use for the treatment of CNS disorderes ARENA PHARM INC (US) 2018-02-28 — — EP disclosed
US-20160250223-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-09-01 — — US disclosed
US-20160250223-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-09-01 — — US disclosed
US-20160024014-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-01-28 — — US disclosed
US-20160024014-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-01-28 — — US disclosed
US-8993750-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-8993750-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-6953787-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2005-10-11 — — US disclosed
EP-1557409-A1 5HT2C receptor modulators Arena Pharmaceuticals, Inc. (US) 2005-07-27 — — EP disclosed
EP-1411881-B1 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2005-05-04 — — EP disclosed
US-20050020573-A1 Obesity; using 3-benoazepine compound ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 — — US disclosed
EP-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 — — EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 — — EP disclosed
US-20030225057-A1 3-Benzoazepine derivatives ARENA PHARMACEUTICALS, INC. (US) 2003-12-04 — — US disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 — — WO disclosed
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 — — US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 — — 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-20030225057-A1 3-Benzoazepine derivatives HTR2C, HTR1A, HTR3A MTNR1A 87/4885MTNR1B 46/4885CHRM2 412/4885
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK MTNR1A 3892/4885MTNR1B 3345/4885CHRM2 4852/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B MTNR1A 158/4885MTNR1B 43/4885CHRM2 284/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK MTNR1A 3892/4885MTNR1B 3345/4885CHRM2 4852/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A MTNR1A 85/4885MTNR1B 42/4885CHRM2 190/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A MTNR1A 85/4885MTNR1B 42/4885CHRM2 190/4885

“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.