Sugi Predict

Sugi Predict / Compounds / SCHEMBL1225840

SCHEMBL1225840

SCHEMBL1225840

N#Cc1ccc([C@H]2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ CYP2A6 P11509 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL1225841 1.00 TSHR (0.50) TSHRCYP2A6ALDH1A1CA12CA2
SCHEMBL1226208 1.00 TSHR (0.50) TSHRCYP2A6ALDH1A1CA12CA2
SCHEMBL10686501 0.87 TSHR (0.39) TSHRCYP2A6ALDH1A1CYP19A1MAOA
SCHEMBL10686497 0.87 TSHR (0.39) TSHRCYP2A6ALDH1A1CYP19A1MAOA
SCHEMBL10356459 0.83 CHRM2 (0.43) TSHRCYP2A6
SCHEMBL10689277 0.83 CHRM2 (0.43) TSHRCYP2A6
SCHEMBL28935583 0.83 MAOA (0.39) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL10549395 0.82 HRH3 (0.36) TSHRCYP2A6ALDH1A1CYP19A1MAOA
SCHEMBL7508064 0.80 CHRM2 (0.41) TSHRCYP2A6
SCHEMBL8046424 0.80 CHRM2 (0.41) TSHRCYP2A6

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
CN-119662578-A Styrene monooxygenase combined mutant and application thereof 中国科学院成都生物研究所 2025-03-21 — — CN disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 — — EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 — — EP disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 — — US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 — — US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 — — EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 — — US disclosed
EP-2462139-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2012-06-13 — — EP disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 — — US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 — — US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 — — WO disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 — — WO disclosed
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INTERNATIONAL B.V. (NL) 2010-09-30 — — US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 — — US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 — — US disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 — — US disclosed
WO-2009005645-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 — — WO disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 — — WO disclosed
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 — — WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 — — 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 (5 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-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 TSHR 3008/4885CYP2A6 990/4885ALDH1A1 943/4885
US-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 TSHR 345/4885CYP2A6 4001/4885ALDH1A1 3119/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 TSHR 913/4885CYP2A6 515/4885ALDH1A1 1520/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 TSHR 913/4885CYP2A6 515/4885ALDH1A1 1520/4885
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 TSHR 876/4885CYP2A6 532/4885ALDH1A1 1510/4885

“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.