SCHEMBL19001093

SCHEMBL19001093

CC1CC(C)CN(c2ccc(C(C)(C)C)c(C(=O)O)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.44
GAA P10253 2/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CNR2 P34972 1/20 0.36
SYK P43405 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
SORD Q00796 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL19001242 1.00 RBP4 (0.44) RBP4GAAPLA2G1BATG4BCNR2
SCHEMBL19012903 0.85 KMT2A (0.43) RBP4GAAKDM4EALDH1A1KMT2A
SCHEMBL19001089 0.85 KMT2A (0.43) RBP4GAAKDM4EALDH1A1KMT2A
SCHEMBL19001243 0.79 CNR2 (0.36) RBP4GAACNR2KDM4EMAPT
SCHEMBL19001091 0.79 CNR2 (0.36) RBP4GAACNR2KDM4EMAPT
SCHEMBL18436949 0.67 RBP4 (0.51) RBP4GAAKDM4EALDH1A1KMT2A
SCHEMBL16834788 0.67 RBP4 (0.51) RBP4GAAKDM4EALDH1A1KMT2A
SCHEMBL19584143 0.66 CCR9 (0.39) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL19001244 0.66 KMT2A (0.41) CNR2MAPTRXFP1KMT2AMEN1
SCHEMBL19001109 0.66 KMT2A (0.41) CNR2MAPTRXFP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH RBP4 2117/4885GAA 2952/4885PLA2G1B 2936/4885

“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.