SCHEMBL19001249

SCHEMBL19001249

C[C@@H]1C[C@H](C)CN(c2ccc(C(C)(C)C)c(F)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD11B1 P28845 2/20 0.34
ALDH1A1 P00352 2/20 0.33
PDK2 Q15119 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GHSR Q92847 3/20 0.32
LMNA P02545 1/20 0.32
PRKCZ Q05513 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL19000982 1.00 MAPT (0.38) MAPTPOLBMEN1KMT2AHSD11B1
SCHEMBL19001075 0.83 MAPT (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19012623 0.83 MAPT (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19001258 0.83 MAPT (0.38) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL19001020 0.83 MAPT (0.38) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL19001262 0.81 POLB (0.40) MAPTPOLBMEN1KMT2AHSD11B1
SCHEMBL19001012 0.81 POLB (0.40) MAPTPOLBMEN1KMT2AHSD11B1
SCHEMBL16087811 0.81 RXRA (0.35) HSD11B1NOTUMPRKCZRXRAGRIN1
SCHEMBL16087803 0.81 RXRA (0.35) HSD11B1NOTUMPRKCZRXRAGRIN1
SCHEMBL22699598 0.80 RXRA (0.43) NOTUMGHSRRXRAGRIN1GRIN2B

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 2 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-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 MAPT 4195/4885POLB 4131/4885MEN1 613/4885

“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.