SCHEMBL29910052

SCHEMBL29910052

CCC(C)c1cc(N)c(F)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ADRB2 P07550 4/20 0.39
ADRB1 P08588 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRB3 P13945 1/20 0.38
NPC1 O15118 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21344883 0.77 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL20098041 0.73 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL21432120 0.73 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL22166132 0.71 PGR (0.37) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL23320084 0.71 ADRB2 (0.39) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL23320013 0.71 ADRB2 (0.34) ADRB2ADRB1
SCHEMBL23320083 0.71 ADRB2 (0.34) ADRB2ADRB1
SCHEMBL18552783 0.70 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL2632858 0.70 TRPV4 (0.46) ALDH1A1HPGDHSD17B10USP2ALOX15
SCHEMBL20242375 0.70 KHK (0.35) ALDH1A1HPGDHSD17B10USP2ALOX15

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-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 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-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 ALDH1A1 2512/4885HPGD 2768/4885HSD17B10 2044/4885

“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.