SCHEMBL19001091

SCHEMBL19001091

Cc1nc(N2CC(C)CC(C)C2)ccc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
GRIN2B Q13224 1/20 0.32
NPY5R Q15761 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RBP4 P02753 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAP4K4 O95819 1/20 0.31
EIF2AK4 Q9P2K8 2/20 0.31
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
TSHR P16473 2/20 0.30
RXFP1 Q9HBX9 2/20 0.30
CACNA2D1 P54289 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
SCHEMBL19001243 1.00 CNR2 (0.36) CNR2GRIN2BNPY5RMAPTHPGD
SCHEMBL19001147 0.83 KMT2A (0.48) MAPTHPGDKMT2AKDM4ELMNA
SCHEMBL19012905 0.83 KMT2A (0.48) MAPTHPGDKMT2AKDM4ELMNA
SCHEMBL19001242 0.79 RBP4 (0.44) CNR2MAPTHPGDKMT2ARBP4
SCHEMBL19001093 0.79 RBP4 (0.44) CNR2MAPTHPGDKMT2ARBP4
SCHEMBL21906082 0.72 PTGER4 (0.41) CNR2
SCHEMBL19001109 0.71 KMT2A (0.41) CNR2MAPTKMT2ARXFP1
SCHEMBL19001244 0.71 KMT2A (0.41) CNR2MAPTKMT2ARXFP1
SCHEMBL19001035 0.71 CNR2 (0.39) CNR2GRIN2BMAPTKMT2AKDM4E
SCHEMBL19001248 0.71 CNR2 (0.39) CNR2GRIN2BMAPTKMT2AKDM4E

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 CNR2 879/4885GRIN2B 2618/4885NPY5R 3910/4885

“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.