SCHEMBL19001060

SCHEMBL19001060

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
RET P07949 1/20 0.41
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
TYK2 P29597 4/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PANK3 Q9H999 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
SPR P35270 1/20 0.39
HSD11B1 P28845 1/20 0.39
TRPV4 Q9HBA0 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL19001048 1.00 HPGD (0.42) HPGDSMN1; SMN2HDAC1TRPV1RET
SCHEMBL19000969 0.86 HSD11B1 (0.48) HPGDSMN1; SMN2TRPV1HCRTR1HCRTR2
SCHEMBL19001069 0.86 HSD11B1 (0.48) HPGDSMN1; SMN2TRPV1HCRTR1HCRTR2
SCHEMBL18435972 0.84 PDE10A (0.43) HDAC1RETJAK2JAK1TYK2
SCHEMBL18436009 0.84 PDE10A (0.43) HDAC1RETJAK2JAK1TYK2
SCHEMBL19012542 0.82 HDAC1 (0.41) HDAC1RETJAK2JAK1TYK2
SCHEMBL17128199 0.82 ACACB (0.43) HDAC1RETJAK2JAK1TYK2
SCHEMBL17128204 0.82 JAK2 (0.41) HDAC1RETJAK2JAK1TYK2
SCHEMBL19012547 0.81 ACACB (0.47) HDAC1RETJAK2JAK1TYK2
SCHEMBL18436982 0.81 ACACB (0.42) HDAC1RETJAK2JAK1TYK2

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 HPGD 1225/4885SMN1; SMN2 4029/4885HDAC1 1058/4885

“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.