SCHEMBL9913535

SCHEMBL9913535

O=C(N1CCc2cccc(CBr)c2C1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 7/20 0.49
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
ACKR3 P25106 1/20 0.41
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
HTR5A P47898 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
SCHEMBL9913538 0.88 ESR1 (0.49) ABHD6ESR1ESR2ACKR3EP300
SCHEMBL13539115 0.84 ABHD6 (0.41) ABHD6ESR1ESR2ACKR3HTR5A
SCHEMBL587897 0.82 ABHD6 (0.69) ABHD6ESR1ESR2EP300CREBBP
SCHEMBL25604192 0.81 ESR1 (0.56) ABHD6ESR1ESR2EP300CREBBP
SCHEMBL14678121 0.80 ESR1 (0.44) ABHD6ESR1ESR2ACKR3EP300
SCHEMBL3885156 0.80 ESR1 (0.51) ABHD6ESR1ESR2ACKR3EP300
SCHEMBL17130540 0.80 ESR1 (0.55) ABHD6ESR1ESR2EP300CREBBP
SCHEMBL25589681 0.79 ABHD6 (0.49) ABHD6ESR1ESR2EP300CREBBP
SCHEMBL31303813 0.79 ESR2 (0.51) ABHD6ESR2
SCHEMBL22530733 0.79 ESR2 (0.51) ABHD6ESR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198274-B2 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-06-12 US disclosed
US-8198274-B2 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-06-12 US disclosed
US-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC 2010-01-21 US disclosed
US-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof ROCHE PALO ALTO LLC 2010-01-21 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 (1 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-20100016312-A1 Substituted indolyl and indazolyl derivatives and uses thereof MAOB, MAOA, TPH1 ABHD6 3186/4885ESR1 2065/4885ESR2 2745/4885

“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.