SCHEMBL19001099

SCHEMBL19001099

CC(C)(O)c1ccc(N2CCN(C(C)(C)C)CC2(C)O)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.39
HRH3 Q9Y5N1 1/20 0.38
OGA O60502 1/20 0.38
HSD11B1 P28845 6/20 0.34
HDAC11 Q96DB2 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HSD11B2 P80365 2/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL19012353 0.87 SMO (0.39) SMOHRH3OGAHDAC11CNR1
SCHEMBL18436688 0.78 SMO (0.39) SMOHRH3OGAHSD11B1HDAC11
SCHEMBL19001112 0.76 OGA (0.54) SMOHRH3OGAHSD11B1HSD11B2
SCHEMBL19012378 0.72 OGA (0.51) SMOHRH3OGAHSD11B1HSD11B2
SCHEMBL19012379 0.70 OGA (0.46) SMOHRH3OGAHSD11B1HSD11B2
SCHEMBL19012358 0.69 SMO (0.47) SMOHRH3OGAHSD11B1HSD11B2
SCHEMBL19001111 0.69 HRH3 (0.39) SMOHRH3OGAHSD11B1CNR2
SCHEMBL19012361 0.69 SGPL1 (0.40) SMOHRH3OGA
SCHEMBL18436094 0.69 OGA (0.44) SMOHRH3OGAHSD11B1HSD11B2
SCHEMBL21336772 0.69 OGA (0.47) SMOHRH3OGAHSD11B1HSD11B2

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 4 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-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
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 SMO 1/4885HRH3 321/4885OGA 2474/4885

“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.