SCHEMBL486177

SCHEMBL486177

CCn1cc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC4)CC3)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.45
CRHR2 Q13324 2/20 0.40
FAAH O00519 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL2818011 0.87 CRHR1 (0.41) CRHR1FAAHUSP2TSHRSMN1; SMN2
SCHEMBL484777 0.87 TDP1 (0.38) SMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL484299 0.86 TAS1R3 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL2820571 0.85 USP2 (0.40) CRHR1CRHR2USP2TSHRSMN1; SMN2
SCHEMBL2816409 0.85 CYP3A4 (0.43) CRHR1CRHR2FAAHUSP2TSHR
SCHEMBL484675 0.85 CYP3A4 (0.55) USP2TSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2815722 0.85 USP2 (0.44) CRHR1USP2TSHRSMN1; SMN2ALDH1A1
SCHEMBL2816296 0.84 CYP3A4 (0.43) CRHR1CRHR2USP2TSHRSMN1; SMN2
SCHEMBL2816529 0.84 CYP3A4 (0.43) CRHR1CRHR2FAAHUSP2TSHR
SCHEMBL484762 0.83 CYP2C9 (0.42) CRHR1CRHR2PDE4APDE4BPDE4C

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 7 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP 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 529/4885FAAH 1454/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CRHR1 166/4885CRHR2 529/4885FAAH 1454/4885

“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.