SCHEMBL19001021

SCHEMBL19001021

CC(C)C(=O)N1C(C)CN(c2ccc(C(C)(C)C)cc2)CC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.46
HSD11B1 P28845 3/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
GRIN2B Q13224 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL19012632 0.84 ACACB (0.39) ACACBHSD11B1MAPTLMNAALDH1A1
SCHEMBL19001121 0.84 HSD11B1 (0.43) ACACBHSD11B1MAPTLMNAALDH1A1
SCHEMBL19012646 0.84 ACACB (0.45) ACACBHSD11B1MAPTLMNAALDH1A1
SCHEMBL19001031 0.84 HSD11B1 (0.43) ACACBHSD11B1MAPTLMNAALDH1A1
SCHEMBL19012636 0.84 AKR1C3 (0.38) MAPTLMNAALDH1A1KDM4EMAPK1
SCHEMBL19000966 0.82 ACACB (0.46) ACACBHSD11B1MAPTLMNAALDH1A1
SCHEMBL20034307 0.81 HSD11B1 (0.41) ACACBHSD11B1MAPTLMNAALDH1A1
SCHEMBL19012523 0.81 HSD11B1 (0.41) ACACBHSD11B1MAPTLMNAALDH1A1
SCHEMBL19001071 0.80 HSD11B1 (0.48) ACACBHSD11B1MAPTLMNAALDH1A1
SCHEMBL19001037 0.80 HSD11B1 (0.48) ACACBHSD11B1MAPTLMNAALDH1A1

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 3908/4885HSD11B1 3620/4885MAPT 4195/4885

“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.