SCHEMBL2816529

SCHEMBL2816529

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc(F)cc5F)CC4)CC3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.43
CRHR1 P34998 5/20 0.41
CRHR2 Q13324 1/20 0.41
USP2 O75604 6/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 5/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
FAAH O00519 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
SCHEMBL484520 0.96 CRHR1 (0.40) CYP3A4CRHR1CRHR2USP2TSHR
SCHEMBL2816409 0.95 CYP3A4 (0.43) CYP3A4CRHR1CRHR2USP2TSHR
SCHEMBL2816296 0.94 CYP3A4 (0.43) CYP3A4CRHR1CRHR2USP2TSHR
SCHEMBL484764 0.91 CRHR1 (0.40) CYP3A4CRHR1CRHR2USP2TSHR
SCHEMBL484943 0.89 CYP2D6 (0.45) CYP3A4USP2TSHRCYP2C9ALDH1A1
SCHEMBL2817462 0.89 CYP3A4 (0.43) CYP3A4CRHR1CRHR2USP2TSHR
SCHEMBL2819000 0.89 CYP3A4 (0.44) CYP3A4CRHR1CRHR2USP2TSHR
SCHEMBL2818766 0.88 USP2 (0.44) CYP3A4USP2TSHRSMN1; SMN2CYP2C9
SCHEMBL485068 0.87 CYP2D6 (0.42) CYP3A4USP2TSHRSMN1; SMN2CYP2C9
SCHEMBL484675 0.87 CYP3A4 (0.55) CYP3A4USP2TSHRSMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CRHR1 166/4885CRHR2 529/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CRHR1 166/4885CRHR2 529/4885

“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.