SCHEMBL2816296

SCHEMBL2816296

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5cc(F)ccc5F)CC4)CC3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
USP2 O75604 5/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CRHR1 P34998 5/20 0.41
CRHR2 Q13324 1/20 0.41
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1A P08908 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
SCHEMBL484764 0.96 CRHR1 (0.40) CYP3A4USP2TSHRSMN1; SMN2CRHR1
SCHEMBL2816529 0.94 CYP3A4 (0.43) CYP3A4USP2TSHRSMN1; SMN2CRHR1
SCHEMBL2816409 0.94 CYP3A4 (0.43) CYP3A4USP2TSHRSMN1; SMN2CRHR1
SCHEMBL484520 0.91 CRHR1 (0.40) CYP3A4USP2TSHRSMN1; SMN2CRHR1
SCHEMBL2818766 0.90 USP2 (0.44) CYP3A4USP2TSHRSMN1; SMN2CYP2D6
SCHEMBL485310 0.89 CYP2D6 (0.46) CYP3A4USP2TSHRSMN1; SMN2CYP2D6
SCHEMBL2819000 0.89 CYP3A4 (0.44) CYP3A4USP2TSHRSMN1; SMN2CRHR1
SCHEMBL2817462 0.88 CYP3A4 (0.43) CYP3A4USP2TSHRSMN1; SMN2CRHR1
SCHEMBL2820068 0.88 USP2 (0.46) CYP3A4USP2TSHRSMN1; SMN2CRHR1
SCHEMBL484675 0.87 CYP3A4 (0.55) CYP3A4USP2TSHRSMN1; SMN2CYP2D6

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.