SCHEMBL19001020

SCHEMBL19001020

Cc1cc(N2CC(C)CC(C)C2)ccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
ADRB1 P08588 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
CACNA2D1 P54289 1/20 0.31
PGAM1 P18669 1/20 0.31
PDK2 Q15119 1/20 0.30
NPY5R Q15761 1/20 0.30
HPGD P15428 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL19001258 1.00 MAPT (0.38) MAPTMEN1KMT2APOLBADRB1
SCHEMBL19000982 0.83 MAPT (0.38) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL19001262 0.83 POLB (0.40) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL19001249 0.83 MAPT (0.38) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL19001012 0.83 POLB (0.40) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL19001153 0.83 MAPT (0.43) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL19012624 0.83 MAPT (0.43) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL21718910 0.76 HPGD (0.49) MAPTMEN1KMT2AADRB1ALDH1A1
SCHEMBL21718821 0.75 HPGD (0.51) MAPTMEN1KMT2APOLBADRB1
SCHEMBL25041636 0.74 MAPT (0.38) MAPTMEN1KMT2APOLBADRB1

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 4195/4885MEN1 613/4885KMT2A 325/4885

“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.