SCHEMBL3889199

SCHEMBL3889199

NC1(CO)CCN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.51
CYP3A4 P08684 3/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
TSHR P16473 4/20 0.47
CYP2D6 P10635 4/20 0.47
CCR3 P51677 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL1973357 0.90 OPRL1 (0.58) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL5570751 0.85 CYP3A4 (0.51) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL9749110 0.85 MAOA (0.56) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL13201427 0.84 CYP3A4 (0.50) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL13201417 0.84 CYP3A4 (0.50) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL13201457 0.84 CYP3A4 (0.50) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL9233103 0.80 POLB (0.58) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL19330837 0.79 OPRL1 (0.57) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL1586461 0.78 CYP3A4 (0.59) OPRL1CYP3A4KMT2APOLBHSD17B10
SCHEMBL8144091 0.78 MAOA (0.66) OPRL1CYP3A4KMT2APOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
CN-107735400-B Cyclic sulfamoyl arylamide derivatives and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-02-02 CN disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (2 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 OPRL1 1525/4885CYP3A4 1612/4885KMT2A 4668/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 OPRL1 2167/4885CYP3A4 1583/4885KMT2A 4507/4885

“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.