SCHEMBL22857094

SCHEMBL22857094

CC1CN(CC2(NC(=O)Oc3ccccc3)CCN(C(C)S)CC2)CCN1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.49
FAAH O00519 3/20 0.37
TRPV1 Q8NER1 3/20 0.37
CHRM1 P11229 1/20 0.35
CCKBR P32239 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL20147497 0.93 RET (0.51) RETFAAHTRPV1CHRM1CCKBR
SCHEMBL20070145 0.88 RET (0.53) RETFAAHTRPV1CHRM1DRD2
SCHEMBL20147498 0.75 RET (0.47) RET
SCHEMBL20070148 0.73 RET (0.48) RETDRD2
SCHEMBL20147665 0.69 RET (0.53) RET
SCHEMBL20626704 0.65 RET (0.40) RET
SCHEMBL20069602 0.64 RET (0.55) RET
SCHEMBL20158534 0.62 RET (0.49) RETALDH1A1SMN1; SMN2
SCHEMBL20148021 0.60 RET (0.45) RETSMN1; SMN2
SCHEMBL1954713 0.60 FAAH (0.58) FAAHTRPV1ALDH1A1

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 1/4885FAAH 4837/4885TRPV1 4107/4885

“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.