SCHEMBL19001062

SCHEMBL19001062

CC(C)(O)c1cnc(N2CCN(C(C)(C)C)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.38
OGA O60502 1/20 0.35
CHRM2 P08172 2/20 0.34
HTR3A P46098 1/20 0.33
PARP1 P09874 1/20 0.32
SLC6A9 P48067 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL18436097 0.85 HRH4 (0.44) SMOHTR3AHRH3
SCHEMBL30101419 0.84 PARP1 (0.41) CHRM2PARP1SLC6A9ALDH1A1
SCHEMBL19001112 0.77 OGA (0.54) SMOOGAKDM4EPOLBALDH1A1
SCHEMBL19012362 0.77 SMO (0.50) SMOCHRM2CHRM1
SCHEMBL15173793 0.77 HTR3A (0.35) SMOOGACHRM2HTR3AHRH3
SCHEMBL3708309 0.77 HTR3A (0.35) HTR3ACKS1BSKP1SKP2HRH3
SCHEMBL16429791 0.77 HTR3A (0.35) HTR3ACKS1BSKP1SKP2
SCHEMBL10294000 0.75 LMNA (0.50) KDM4EALDH1A1L3MBTL1HRH3
SCHEMBL18641203 0.73 PANK3 (0.46) PARP1
SCHEMBL24422287 0.72 ME2 (0.52) SMOOGAKDM4EALDH1A1

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 1/4885OGA 2474/4885CHRM2 3451/4885

“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.