SCHEMBL20148631

SCHEMBL20148631

COc1ccc(CN2C3CCC2CN(C(C)(C)C)C3)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.47
RET P07949 11/20 0.44
SIGMAR1 Q99720 1/20 0.42
CCDC6 Q16204 1/20 0.39
CRBN Q96SW2 1/20 0.39
KDR P35968 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP11B1 P15538 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
SCHEMBL20148646 0.92 RET (0.46) TRPV6RETCCDC6CRBNKDR
SCHEMBL20070737 0.85 TRPV6 (0.50) TRPV6RETSIGMAR1CHRNB2CHRNA4
SCHEMBL20149629 0.82 TRPV6 (0.47) TRPV6RETSIGMAR1CHRNB2CHRNA4
SCHEMBL20148632 0.80 TRPV6 (0.56) TRPV6RETSIGMAR1CYP11B1
SCHEMBL20148652 0.79 RET (0.46) RETCCDC6CRBNKDR
SCHEMBL20148682 0.78 RET (0.48) RETCCDC6CRBNKDR
SCHEMBL20148641 0.78 RET (0.49) RETCCDC6CRBNKDR
SCHEMBL18390927 0.77 RET (0.48) TRPV6RETCHRNB2CHRNA4
SCHEMBL18390929 0.75 RET (0.47) TRPV6RETCHRNB2CHRNA4
SCHEMBL20682194 0.75 DRD2 (0.45) SIGMAR1CHRNA4

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
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-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 (2 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TRPV6 4180/4885RET 1/4885SIGMAR1 3863/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TRPV6 4180/4885RET 1/4885SIGMAR1 3863/4885

“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.