SCHEMBL2820583

SCHEMBL2820583

Cc1nc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC4)CC3)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.39
USP2 O75604 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 14/20 0.38
CRHR2 Q13324 2/20 0.38
HIF1A Q16665 1/20 0.38
WDR5 P61964 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
SCHEMBL485415 0.89 TAS1R3 (0.39) CYP3A4TSHRALDH1A1WDR5
SCHEMBL484958 0.89 USP2 (0.40) CYP3A4USP2TSHRALDH1A1CYP2C9
SCHEMBL2820571 0.88 USP2 (0.40) CYP3A4USP2TSHRALDH1A1CYP2C9
SCHEMBL485274 0.86 USP2 (0.43) CYP3A4USP2TSHRALDH1A1CYP2C9
SCHEMBL484675 0.86 CYP3A4 (0.55) CYP3A4USP2TSHRALDH1A1CYP2C9
SCHEMBL2815722 0.86 USP2 (0.44) CYP3A4USP2TSHRALDH1A1CYP2C9
SCHEMBL2819196 0.85 CYP3A4 (0.43) CYP3A4USP2TSHRALDH1A1CYP2C9
SCHEMBL485015 0.85 USP2 (0.41) CYP3A4USP2TSHRALDH1A1CYP2C9
SCHEMBL485641 0.85 TAS1R3 (0.38) ALDH1A1WDR5
SCHEMBL484699 0.85 MRGPRX4 (0.38) CYP3A4USP2TSHRALDH1A1CYP2C9

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