SCHEMBL20148647

SCHEMBL20148647

COc1ccc(CN2CC3CC2CN3C(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.44
TRPV6 Q9H1D0 1/20 0.41
NAAA Q02083 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP11B1 P15538 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CCDC6 Q16204 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL20160368 0.85 RET (0.47) RETTRPV6NAAAKDM1AMAOA
SCHEMBL20070741 0.84 TLR7 (0.44) RETTRPV6KDM1AMAOAMAOB
SCHEMBL20149603 0.81 TRPV6 (0.43) RETTRPV6NAAAKDM1AMAOA
SCHEMBL22030581 0.80 RET (0.42) RETTRPV6NAAAKDM1AMAOA
SCHEMBL30248690 0.79 GPR119 (0.47) RETKDR
SCHEMBL31458788 0.79 GPR119 (0.47) RETKDR
SCHEMBL20136850 0.79 LTA4H (0.43) RETTRPV6KDM1AMAOAMAOB
SCHEMBL20148630 0.78 TRPV6 (0.47) RETTRPV6KDM1AMAOAMAOB
SCHEMBL20148646 0.78 RET (0.46) RETTRPV6CHRNB2CHRNA4CCDC6
SCHEMBL20149643 0.76 CHRNB2 (0.56) RETCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4180/4885NAAA 4631/4885

“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.