SCHEMBL20970544

SCHEMBL20970544

CCN1CCC2(CC1)CCN(C(=O)C(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.42
VNN1 O95497 1/20 0.40
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.36
TSHR P16473 3/20 0.36
CYP2C9 P11712 2/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL20353660 0.92 VNN1 (0.41) CYP2D6VNN1CYP3A4ALDH1A1CYP1A2
SCHEMBL25469327 0.90 CYP2D6 (0.47) CYP2D6VNN1CYP3A4ALDH1A1CYP1A2
SCHEMBL19159469 0.86 CYP2C9 (0.41) CYP2D6CYP3A4ALDH1A1CYP1A2TSHR
SCHEMBL27381021 0.85 CYP2D6 (0.59) CYP2D6CYP3A4ALDH1A1CYP1A2TSHR
SCHEMBL20962690 0.84 CYP2D6 (0.44) CYP2D6VNN1CYP3A4ALDH1A1CYP1A2
SCHEMBL18347975 0.82 CYP2C9 (0.45) CYP2D6CYP3A4ALDH1A1CYP1A2TSHR
SCHEMBL16849114 0.82 CYP2C9 (0.45) CYP2D6CYP3A4ALDH1A1CYP1A2TSHR
SCHEMBL18390600 0.81 USP2 (0.42) CYP2D6VNN1CYP3A4ALDH1A1CYP1A2
SCHEMBL18705154 0.79 HRH3 (0.47) CYP2D6CYP3A4ALDH1A1CYP1A2TSHR
SCHEMBL19909687 0.79 CHRNB2 (0.36) CYP2D6VNN1CYP3A4HSD11B1KDM4E

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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP2D6 3133/4885VNN1 4773/4885CYP3A4 2929/4885

“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.