SCHEMBL484675

SCHEMBL484675

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccncc5)CC4)CC3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.55
USP2 O75604 10/20 0.55
CYP2C9 P11712 7/20 0.55
TSHR P16473 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 1/20 0.55
HIF1A Q16665 6/20 0.52
CYP2C19 P33261 5/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 9/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EPAS1 Q99814 2/20 0.42

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
SCHEMBL484515 0.93 USP2 (0.46) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL485083 0.91 CYP3A4 (0.45) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL2818766 0.90 USP2 (0.44) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL484794 0.90 CYP3A4 (0.53) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL484560 0.90 USP2 (0.57) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL485274 0.89 USP2 (0.43) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL2815472 0.89 USP2 (0.42) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL484812 0.88 USP2 (0.42) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL484340 0.88 CYP3A4 (0.52) CYP3A4USP2CYP2C9TSHRSMN1; SMN2
SCHEMBL2819000 0.88 CYP3A4 (0.44) CYP3A4USP2CYP2C9TSHRSMN1; SMN2

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 10 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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 4864/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885USP2 4864/4885CYP2C9 2259/4885

“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.