SCHEMBL2816701

SCHEMBL2816701

Cc1noc(C)c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC3)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.41
USP2 O75604 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
CRHR2 Q13324 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL2815722 0.96 USP2 (0.44) CRHR1USP2CYP2D6CYP3A4
SCHEMBL485063 0.90 CYP2C9 (0.41) USP2CYP2D6CYP3A4
SCHEMBL2818049 0.89 CRHR1 (0.41) CRHR1MRGPRX4CRHR2
SCHEMBL484426 0.88 CYP2C9 (0.38) USP2CYP2D6CYP3A4
SCHEMBL484919 0.87 CYP3A4 (0.40) CRHR1USP2CYP2D6CYP3A4MRGPRX4
SCHEMBL2819142 0.87 CRHR1 (0.38) CRHR1USP2MRGPRX4CRHR2
SCHEMBL485012 0.85 CYP2C9 (0.45) USP2CYP2D6CYP3A4
SCHEMBL484618 0.85 TSHR (0.46) CRHR1USP2CYP2D6CYP3A4CYP2C19
SCHEMBL484738 0.85 CYP2C9 (0.39) USP2CYP2D6CYP3A4CYP2C19
SCHEMBL484361 0.85 MRGPRX4 (0.40) CRHR1USP2CYP2D6CYP3A4CYP2C19

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 CRHR1 166/4885USP2 4864/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CRHR1 166/4885USP2 4864/4885CYP2D6 1926/4885

“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.