SCHEMBL19001253

SCHEMBL19001253

C[C@@H]1C[C@H](C)CN(c2cnc(C(C)(C)C)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
BCL6 P41182 1/20 0.32
TSHR P16473 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SMO Q99835 1/20 0.30
PDE1B Q01064 1/20 0.30
POLB P06746 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
SCHEMBL19001038 1.00 CNR2 (0.41) CNR2MAPTKDM4EGAABCL6
SCHEMBL19001152 0.82 KMT2A (0.43) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL19012603 0.82 KMT2A (0.43) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL13658000 0.81 ADRA1A (0.43) MAPTKDM4ETSHRRXFP1ALDH1A1
SCHEMBL9924599 0.80 MAPT (0.46) MAPTKDM4ETSHRALDH1A1NPC1
SCHEMBL19001116 0.75 CNR2 (0.49) CNR2MAPTKDM4EGAAALDH1A1
SCHEMBL19001030 0.75 CNR2 (0.49) CNR2MAPTKDM4EGAAALDH1A1
SCHEMBL19001068 0.75 MAPT (0.58) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL19001128 0.75 MAPT (0.58) MAPTKDM4EGAAALDH1A1HPGD
SCHEMBL9924596 0.75 SMN1; SMN2 (0.39) CNR2MAPTKDM4EGAAALDH1A1

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 879/4885MAPT 4195/4885KDM4E 415/4885

“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.