SCHEMBL21725653

SCHEMBL21725653

CCC(C)n1ccc2cc(F)cc(C#N)c21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.31
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSH P09668 1/20 0.30
CTSS P25774 1/20 0.30
CASP1 P29466 1/20 0.30
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30
CTSZ Q9UBR2 1/20 0.30
PGK1 P00558 1/20 0.30

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
SCHEMBL21725649 0.85 ALDH1A1 (0.35) TGFBR1ALDH1A1KDM4EHPGDPGR
SCHEMBL22871225 0.79 HTR2A (0.42) ALDH1A1KMT2AKDM4EHPGDPGR
SCHEMBL21859553 0.76 CYP19A1 (0.39) ALDH1A1KDM4EARHTR2AHTR2C
SCHEMBL21725650 0.73 XDH (0.46) ALDH1A1KMT2AKDM4EARMEN1
SCHEMBL21942142 0.67 BRD4 (0.38) HTR2AHTR2C
SCHEMBL15599415 0.63 AR (0.72) PGRAR
SCHEMBL21725642 0.63 HTR2A (0.36) ALDH1A1KMT2AKDM4EHPGDPGR
SCHEMBL22693264 0.63 NPC1 (0.37) ALDH1A1HPGDAR
SCHEMBL29005683 0.62 ACLY (0.41) AR
SCHEMBL21725659 0.62 HTR2A (0.42) HTR2AHTR2CCTSSCTSK

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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TGFBR1 3585/4885ALDH1A1 2977/4885KMT2A 1341/4885

“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.