SCHEMBL2819142

SCHEMBL2819142

Cc1nc[nH]c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC3)C2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.38
CRHR2 Q13324 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL2820571 0.96 USP2 (0.40) CRHR1CRHR2USP2
SCHEMBL484796 0.89 TAS1R3 (0.39)
SCHEMBL484699 0.87 MRGPRX4 (0.38) CRHR1CRHR2MRGPRX4USP2
SCHEMBL2818049 0.87 CRHR1 (0.41) CRHR1CRHR2MRGPRX4
SCHEMBL2816701 0.87 CRHR1 (0.41) CRHR1CRHR2MRGPRX4USP2
SCHEMBL2818735 0.85 CRHR1 (0.40) CRHR1MRGPRX4USP2
SCHEMBL484618 0.85 TSHR (0.46) CRHR1MRGPRX4USP2
SCHEMBL484650 0.85 TAS1R3 (0.40)
SCHEMBL484361 0.85 MRGPRX4 (0.40) CRHR1MRGPRX4USP2
SCHEMBL484919 0.85 CYP3A4 (0.40) CRHR1CRHR2MRGPRX4USP2

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 166/4885CRHR2 529/4885MRGPRX4 24/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CRHR1 166/4885CRHR2 529/4885MRGPRX4 24/4885

“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.