SCHEMBL2820571

SCHEMBL2820571

Cc1nc[nH]c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC3)CC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRHR1 P34998 16/20 0.39
HIF1A Q16665 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL2819142 0.96 CRHR1 (0.38) USP2CRHR1CRHR2
SCHEMBL484650 0.89 TAS1R3 (0.40) CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL2820583 0.88 CYP3A4 (0.39) USP2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL484958 0.87 USP2 (0.40) USP2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL484675 0.86 CYP3A4 (0.55) USP2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL2815722 0.86 USP2 (0.44) USP2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL485015 0.86 USP2 (0.41) USP2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL485274 0.85 USP2 (0.43) USP2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL486177 0.85 CRHR1 (0.45) USP2CYP3A4TSHRALDH1A1CYP2C9
SCHEMBL484796 0.85 TAS1R3 (0.39) ALDH1A1

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 USP2 4864/4885CYP3A4 3781/4885TSHR 338/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885CYP3A4 3781/4885TSHR 338/4885

“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.