SCHEMBL18436009

SCHEMBL18436009

CCC(=O)N1[C@@H]2CC[C@H]1CN(c1ccc(C)cn1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
JAK2 O60674 8/20 0.41
JAK1 P23458 8/20 0.41
TYK2 P29597 8/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
DHFR P00374 1/20 0.39
CHRM1 P11229 1/20 0.39
RET P07949 1/20 0.39
SLC6A9 P48067 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 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
SCHEMBL18435972 1.00 PDE10A (0.43) PDE10AJAK2JAK1TYK2HRH3
SCHEMBL17128204 0.86 JAK2 (0.41) JAK2JAK1TYK2HDAC1CHRM1
SCHEMBL17128199 0.86 ACACB (0.43) PDE10AJAK2JAK1TYK2HDAC1
SCHEMBL19012542 0.86 HDAC1 (0.41) JAK2JAK1TYK2HDAC1CHRM1
SCHEMBL18436829 0.85 PDE10A (0.41) PDE10AHRH3GPR119DHFRCHRM1
SCHEMBL18436007 0.85 PDE10A (0.41) PDE10AHRH3GPR119DHFRCHRM1
SCHEMBL19012547 0.84 ACACB (0.47) JAK2JAK1TYK2HDAC1CHRM1
SCHEMBL19001060 0.84 HPGD (0.42) JAK2JAK1TYK2HRH3HDAC1
SCHEMBL19001048 0.84 HPGD (0.42) JAK2JAK1TYK2HRH3HDAC1
SCHEMBL18436982 0.84 ACACB (0.42) JAK2JAK1TYK2HDAC1CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
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 PDE10A 1457/4885JAK2 223/4885JAK1 556/4885

“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.