SCHEMBL19001033

SCHEMBL19001033

CC1CN(c2ccc(C(C)(C)C)cn2)CC(C)N1C(=O)C(C)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
KDM4E B2RXH2 3/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
ACACB O00763 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
EIF2AK4 Q9P2K8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL19001100 1.00 HSD11B1 (0.53) HSD11B1KDM4EABL1LMNAMAPT
SCHEMBL19012380 0.86 HSD11B1 (0.47) HSD11B1KDM4EABL1LMNAHCRTR1
SCHEMBL19012702 0.86 HSD11B1 (0.47) HSD11B1KDM4EABL1LMNAHCRTR1
SCHEMBL19012709 0.85 HSD11B1 (0.44) HSD11B1KDM4EABL1LMNAMAPT
SCHEMBL19000967 0.84 HSD11B1 (0.51) HSD11B1KDM4EABL1LMNAMAPT
SCHEMBL19001095 0.84 HSD11B1 (0.51) HSD11B1KDM4EABL1LMNAMAPT
SCHEMBL19012382 0.84 HSD11B1 (0.51) HSD11B1KDM4EABL1LMNAMAPT
SCHEMBL19012902 0.84 HSD11B1 (0.51) HSD11B1KDM4EABL1LMNAMAPT
SCHEMBL19001129 0.83 HSD11B1 (0.49) HSD11B1KDM4EABL1LMNAMAPT
SCHEMBL19001107 0.83 HSD11B1 (0.49) HSD11B1KDM4EABL1LMNAMAPT

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 HSD11B1 3620/4885KDM4E 415/4885ABL1 120/4885

“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.