SCHEMBL18436686

SCHEMBL18436686

CN1CCC2(CC1)CCN(c1ccc(C(C)(C)O)cn1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.46
SMO Q99835 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38
HSD11B2 P80365 1/20 0.38
POLB P06746 1/20 0.38
ADAM10 O14672 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL19012379 0.89 OGA (0.46) OGASMOHRH3SMN1; SMN2MAPT
SCHEMBL18436092 0.87 OGA (0.54) OGASMOHRH3SMN1; SMN2MAPT
SCHEMBL19012378 0.83 OGA (0.51) OGASMOHRH3SMN1; SMN2MAPT
SCHEMBL18436094 0.82 OGA (0.44) OGASMOHRH3SMN1; SMN2MAPT
SCHEMBL21336772 0.82 OGA (0.47) OGASMOHRH3SMN1; SMN2MAPT
SCHEMBL19001138 0.82 OGA (0.47) OGASMOHRH3SMN1; SMN2MAPT
SCHEMBL21336622 0.80 SMO (0.47) OGASMOHRH3SMN1; SMN2MAPT
SCHEMBL19012358 0.80 SMO (0.47) OGASMOHRH3SMN1; SMN2MAPT
SCHEMBL19001143 0.79 HSD11B1 (0.39) OGASMOSMN1; SMN2MAPTALDH1A1
SCHEMBL19001112 0.78 OGA (0.54) OGASMOHRH3SMN1; SMN2MAPT

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 OGA 2474/4885SMO 1/4885HRH3 321/4885

“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.