SCHEMBL19001244

SCHEMBL19001244

C[C@@H]1C[C@H](C)CN(c2ccc(C(C)(C)C)nn2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA7 P36544 2/20 0.34
HTR3A P46098 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL19001109 1.00 KMT2A (0.41) KMT2ACNR2MAPTPOLBMEN1
SCHEMBL19001148 0.82 KMT2A (0.62) KMT2AMAPTPOLBMEN1RXFP1
SCHEMBL19012601 0.82 KMT2A (0.62) KMT2AMAPTPOLBMEN1RXFP1
SCHEMBL20249350 0.81 KMT2A (0.38) KMT2ACHRNB2CHRNA4CHRNA7HTR3A
SCHEMBL20249382 0.80 CHRNA7 (0.38) KMT2ACHRNB2CHRNA4CHRNA7HTR3A
SCHEMBL20249344 0.78 KMT2A (0.36) KMT2ACHRNB2CHRNA4CHRNA7HTR3A
SCHEMBL19001038 0.73 CNR2 (0.41) CNR2MAPTPOLBRXFP1
SCHEMBL19001253 0.73 CNR2 (0.41) CNR2MAPTPOLBRXFP1
SCHEMBL20249359 0.73 TRPV1 (0.42) CNR2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20249165 0.73 TRPV1 (0.42) CNR2CHRNB2CHRNA4CHRNB4CHRNA3

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 KMT2A 325/4885CNR2 879/4885MAPT 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.