SCHEMBL18436001

SCHEMBL18436001

CN1CCN(c2cc[nH]c(=O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.47
HTR3A P46098 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PTK2B Q14289 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPKAPK5 Q8IW41 2/20 0.43
GFER P55789 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8666063 0.83 HSD17B10 (0.53) HRH3MAPTGAAKDM4EMAPK1
SCHEMBL21336580 0.81 HRH3 (0.64) HRH3MAPTKDM4EMAPK1ALDH1A1
SCHEMBL19012650 0.81 HRH3 (0.43) HTR3AHRH3MAPTGAAMAPK1
SCHEMBL23759875 0.80 ADRB1 (0.51) HTR3AHTTALDH1A1
SCHEMBL22150604 0.79 PIK3CA (0.49) HRH3MAPTKDM4EHTTKMT2A
SCHEMBL19264139 0.77 HRH3 (0.53) HRH3MAPK1HTTGFERHSD17B10
SCHEMBL784768 0.76 HRH3 (0.49) HRH3MAPK1
SCHEMBL20443487 0.74 HTR3A (0.50) HTR3AMAPTGAAKDM4EPTK2B
SCHEMBL8615747 0.74 ALDH1A1 (0.49) ADRA2CHTR3AMAPTGAAKDM4E
SCHEMBL29576625 0.74 ALDH1A1 (0.49) ADRA2CHTR3AMAPTGAAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP 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 ADRA2C 3734/4885HTR3A 1495/4885HRH3 321/4885

“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.