SCHEMBL19001035

SCHEMBL19001035

Cc1cc(N2CC(C)CC(C)C2)ncc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
BCL6 P41182 1/20 0.34
MAPT P10636 4/20 0.34
AR P10275 1/20 0.34
ALDH1A1 P00352 4/20 0.32
RXFP1 Q9HBX9 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LRRK2 Q5S007 1/20 0.30
GRIN2D O15399 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
SCHEMBL19001248 1.00 CNR2 (0.39) CNR2BCL6MAPTARALDH1A1
SCHEMBL19001073 0.84 KDM4E (0.47) BCL6MAPTALDH1A1HTTRAB9A
SCHEMBL14803853 0.74 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19
SCHEMBL19001038 0.73 CNR2 (0.41) CNR2BCL6MAPTALDH1A1RXFP1
SCHEMBL19001253 0.73 CNR2 (0.41) CNR2BCL6MAPTALDH1A1RXFP1
SCHEMBL19001030 0.72 CNR2 (0.49) CNR2MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19001020 0.72 MAPT (0.38) MAPTALDH1A1NPC1HTTRAB9A
SCHEMBL19001116 0.72 CNR2 (0.49) CNR2MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19001258 0.72 MAPT (0.38) MAPTALDH1A1NPC1HTTRAB9A
SCHEMBL19001091 0.71 CNR2 (0.36) CNR2MAPTRXFP1TSHRKMT2A

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 879/4885BCL6 448/4885MAPT 4195/4885

“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.