SCHEMBL20153149

SCHEMBL20153149

COc1ccc(CN2C(C)CN(C)CC2C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.46
TRPV6 Q9H1D0 1/20 0.43
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CYP11B1 P15538 1/20 0.41
NAAA Q02083 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38

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
SCHEMBL20148591 0.85 RET (0.42) RETTRPV6CHRNB2CHRNA4CACNA1G
SCHEMBL20070737 0.84 TRPV6 (0.50) RETTRPV6CHRNB2CHRNA4CHRNB4
SCHEMBL18390927 0.84 RET (0.48) RETTRPV6CHRNB2CHRNA4CHRNB4
SCHEMBL20069899 0.83 CYP11B1 (0.43) RETTRPV6CHRNB2CHRNA4CACNA1G
SCHEMBL20069900 0.83 CYP11B1 (0.43) RETTRPV6CHRNB2CHRNA4CACNA1G
SCHEMBL20136784 0.83 CACNA1G (0.47) RETTRPV6CHRNB2CHRNA4CACNA1G
SCHEMBL22660557 0.78 GPR119 (0.48) RETCACNA1GCACNA1HCACNA1I
SCHEMBL31458814 0.78 GPR119 (0.48) RETCACNA1GCACNA1HCACNA1I
SCHEMBL20071085 0.77 TRPV6 (0.51) RETTRPV6CACNA1GCACNA1HCACNA1I
SCHEMBL18390929 0.77 RET (0.47) RETTRPV6CHRNB2CHRNA4

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
WO-2020228756-A1 INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-11-19 WO disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885TRPV6 4180/4885CHRNB2 2276/4885

“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.