SCHEMBL19658610

SCHEMBL19658610

CC(=O)N(C)C1CCOc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.42
▸ KDM4C Q9H3R0 6/20 0.41
▸ TRPV1 Q8NER1 2/20 0.39
▸ KDM6B O15054 2/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34

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
SCHEMBL19652243 0.85 DPP4 (0.41) ADRA2AKDM4CTRPV1KDM6BDPP4
SCHEMBL29920509 0.82 ADRA2A (0.38) ADRA2AKDM4CTRPV1KDM6BNTRK1
SCHEMBL12269707 0.81 GAA (0.41) TRPV1MAP3K14
SCHEMBL28788365 0.78 KDM4C (0.43) ADRA2AKDM4CTRPV1NTRK1MAPK1
SCHEMBL31395451 0.77 ADRA2A (0.41) ADRA2AKDM4C
SCHEMBL29920615 0.76 ADRA2A (0.41) ADRA2AKDM4CTRPV1KDM6BMAP3K14
SCHEMBL27830379 0.75 ADRA2A (0.47) ADRA2AKDM4CTRPV1MAP3K14NTRK1
SCHEMBL1569617 0.74 KDM4C (0.46) ADRA2AKDM4C
SCHEMBL30989905 0.73 KDM4C (0.40) ADRA2AKDM4CKDM6BNTRK1
SCHEMBL24593571 0.72 ADRA2A (0.50) ADRA2AKDM4CTRPV1MAP3K14NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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 (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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ADRA2A 2340/4885KDM4C 264/4885TRPV1 1781/4885

“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.

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