SCHEMBL23873992

SCHEMBL23873992

CC(C)[C@H]1NCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.67
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
PNMT P11086 1/20 0.40
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
DRD1 P21728 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL12321732 1.00 PRCP (0.67) PRCPHTR2AALDH1A1MAPTPNMT
SCHEMBL29990541 1.00 PRCP (0.67) PRCPHTR2AALDH1A1MAPTPNMT
SCHEMBL6263810 0.86 PRCP (0.51) PRCPHTR2AALDH1A1MAPTCYP2D6
SCHEMBL4367650 0.85 PRCP (0.50) PRCPHTR2AALDH1A1MAPTPNMT
SCHEMBL28454102 0.85 PRCP (0.50) PRCPHTR2AALDH1A1MAPTPNMT
Tert-Butyl Formate SCHEMBL29029882 0.83 PRCP (0.49) PRCPHTR2AALDH1A1MAPTPNMT
SCHEMBL31514911 0.82 PNMT (0.52) PRCPALDH1A1MAPTPNMTCYP2D6
SCHEMBL1012767 0.80 PRCP (1.00) PRCPHTR2AMAPTMEN1KMT2A
SCHEMBL31158625 0.80 PRCP (1.00) PRCPHTR2AMAPTMEN1KMT2A
SCHEMBL24091985 0.80 PRCP (1.00) PRCPHTR2AMAPTMEN1KMT2A

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-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2021-09-30 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 (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-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 PRCP 2973/4885HTR2A 4497/4885ALDH1A1 3298/4885

“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.