SCHEMBL19001043

SCHEMBL19001043

CCCOC(=O)N1[C@H](C)CN(c2ccc(C(C)(C)C)cc2)C[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HTR2C P28335 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL19001140 1.00 ACACB (0.40) ACACBTP53HPGDSMN1; SMN2HSD11B1
SCHEMBL19001086 0.91 CYP2C9 (0.43) ACACBSMN1; SMN2HSD11B1KDM4EALDH1A1
SCHEMBL19001087 0.91 CYP2C9 (0.43) ACACBSMN1; SMN2HSD11B1KDM4EALDH1A1
SCHEMBL19001144 0.91 CYP2C9 (0.43) ACACBSMN1; SMN2HSD11B1KDM4EALDH1A1
SCHEMBL18436793 0.86 SMN1; SMN2 (0.40) ACACBTP53HPGDSMN1; SMN2KDM4E
SCHEMBL19012590 0.86 SMN1; SMN2 (0.40) ACACBTP53HPGDSMN1; SMN2KDM4E
SCHEMBL19012522 0.85 SMN1; SMN2 (0.40) ACACBTP53HPGDSMN1; SMN2KDM4E
SCHEMBL19001084 0.83 ACACB (0.46) ACACBTP53SMN1; SMN2HSD11B1KDM4E
SCHEMBL19001042 0.83 ACACB (0.46) ACACBTP53SMN1; SMN2HSD11B1KDM4E
SCHEMBL19001114 0.83 ACACB (0.46) ACACBTP53SMN1; SMN2HSD11B1KDM4E

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 ACACB 3908/4885TP53 683/4885HPGD 1225/4885

“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.