SCHEMBL22857071

SCHEMBL22857071

COc1ccc(OC2CCN(C(C)SC)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.49
OXTR P30559 2/20 0.42
AVPR1A P37288 2/20 0.42
HRH3 Q9Y5N1 9/20 0.40
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
RET P07949 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
SCHEMBL20147423 0.87 HRH3 (0.53) CHRM4HRH3
SCHEMBL20147449 0.82 HRH3 (0.47) CHRM4OXTRAVPR1AHRH3ACACB
SCHEMBL20069570 0.80 CHRM4 (0.53) CHRM4OXTRAVPR1AHRH3
SCHEMBL20069585 0.78 HRH3 (0.55) HRH3
SCHEMBL25502660 0.77 OGA (0.53) CHRM4
SCHEMBL28603785 0.76 PDGFRB (0.49) CHRM4OXTRAVPR1AACACBACACA
SCHEMBL20069133 0.76 CHRM4 (0.49) CHRM4OXTRAVPR1AHRH3
SCHEMBL20069143 0.76 OXTR (0.43) CHRM4OXTRAVPR1AACACBACACA
SCHEMBL19023669 0.74 CHRM4 (0.51) CHRM4OXTRAVPR1A
SCHEMBL22856983 0.74 OXTR (0.41) CHRM4OXTRAVPR1AACACBACACA

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 CHRM4 2166/4885OXTR 3773/4885AVPR1A 1841/4885

“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.