SCHEMBL22857061

SCHEMBL22857061

CC(S)N1CCC(Cc2ccccn2)(N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33

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
SCHEMBL20147391 0.89 CYP2D6 (0.42) RETSLC6A4OPRM1CYP1A2CYP2C19
SCHEMBL20070181 0.83 RET (0.41) RETCYP1A2CYP2C19KMT2ALMNA
SCHEMBL20147914 0.83 CYP46A1 (0.48) RETSLC6A4OPRM1LMNAGAA
SCHEMBL13503756 0.76 HSD11B1 (0.36) RETOPRM1CYP1A2CYP2C19LMNA
SCHEMBL20069006 0.75 CYP2D6 (0.43) SLC6A4OPRM1CYP1A2CYP2C19KMT2A
SCHEMBL14028149 0.73 ALDH1A1 (0.42) OPRM1ALDH1A1HRH3
SCHEMBL22857003 0.72 RET (0.49) RETCYP1A2KMT2AALDH1A1CYP46A1
SCHEMBL20970566 0.71 TP53 (0.52) OPRM1CYP2C19LMNASIGMAR1HRH3
SCHEMBL20147400 0.71 CYP46A1 (0.50) RETSLC6A4OPRM1LMNAGAA
SCHEMBL20137772 0.71 GPR119 (0.49) LMNAALDH1A1

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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885SLC6A4 3586/4885OPRM1 3497/4885

“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.