SCHEMBL944394

SCHEMBL944394

CC(=O)NC(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 3/20 0.44
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL13036625 1.00 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL13035837 1.00 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL19116414 0.84 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL21789475 0.81 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL15220067 0.81 ALDH1A1 (0.37) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL20279978 0.81 ALDH1A1 (0.37) CYP3A4CYP2C9CYP2C19POLBSMN1; SMN2
SCHEMBL9891896 0.81 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL2364046 0.80 LMNA (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL2363845 0.80 LMNA (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL10371156 0.79 ALDH1A1 (0.35) CYP3A4CYP2C9CYP2C19POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023216533-A1 INDOLE ALKALOID, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京中医药大学 2023-11-16 WO disclosed
US-20230339930-A1 Antiviral Heteroaryl Ketone Derivatives PFIZER INC. (US) 2023-10-26 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
WO-1999018065-A1 CHIRAL AMINES CHIROTECH TECHNOLOGY LIMITED (GB) 1999-04-15 WO disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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 (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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 CYP3A4 1704/4885CYP2C9 1276/4885CYP2C19 663/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CYP3A4 1842/4885CYP2C9 915/4885CYP2C19 1129/4885
US-20230339930-A1 Antiviral Heteroaryl Ketone Derivatives ACE2, ZC3HAV1, SARS1 CYP3A4 12/4885CYP2C9 377/4885CYP2C19 139/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CYP3A4 1842/4885CYP2C9 915/4885CYP2C19 1129/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CYP3A4 3732/4885CYP2C9 3319/4885CYP2C19 3002/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 CYP3A4 3451/4885CYP2C9 1816/4885CYP2C19 3372/4885

“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.