SCHEMBL18436107

SCHEMBL18436107

COC(=O)N1[C@H](C)CN(c2ccc(C)cc2)C[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
GPR119 Q8TDV5 1/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR7 P34969 1/20 0.37
GRM5 P41594 1/20 0.37
ATM Q13315 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL18436332 1.00 L3MBTL1 (0.41) L3MBTL1GPR119TSHRMAPTALDH1A1
SCHEMBL19012516 1.00 L3MBTL1 (0.41) L3MBTL1GPR119TSHRMAPTALDH1A1
SCHEMBL21336572 0.86 L3MBTL1 (0.40) L3MBTL1TSHRMAPTALDH1A1KMT2A
SCHEMBL18436372 0.86 MAPT (0.46) L3MBTL1GPR119MAPTALDH1A1KMT2A
SCHEMBL19012591 0.86 MAPT (0.46) L3MBTL1GPR119MAPTALDH1A1KMT2A
SCHEMBL18436371 0.86 CYP3A4 (0.49) GPR119TSHRMAPTALDH1A1KMT2A
SCHEMBL18436080 0.86 CYP3A4 (0.49) GPR119TSHRMAPTALDH1A1KMT2A
SCHEMBL19001042 0.84 ACACB (0.46) L3MBTL1TSHRMAPTALDH1A1KMT2A
SCHEMBL19012461 0.84 ACACB (0.41) L3MBTL1TSHRMAPTALDH1A1KDM4E
SCHEMBL21336715 0.84 GPR119 (0.44) L3MBTL1GPR119TSHRMAPTALDH1A1

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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP 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 L3MBTL1 2398/4885GPR119 1965/4885TSHR 2464/4885

“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.