SCHEMBL22856987

SCHEMBL22856987

CC(O)C(N)C(=O)NC1(Cc2ccccc2)CCN(C(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.46
DPP4 P27487 1/20 0.41
OPRM1 P35372 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
GRIN1 Q05586 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ALDH1A1 P00352 2/20 0.37
ADRB2 P07550 2/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.36
ADAM17 P78536 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL22856990 0.92 RET (0.45) RETDPP4OPRM1GRIN2DGRIN3B
SCHEMBL20068812 0.87 RET (0.48) RETDPP4OPRM1CHRM1ALDH1A1
SCHEMBL20147399 0.86 RET (0.47) RETDPP4OPRM1CHRM1KCNH2
SCHEMBL20205887 0.86 RET (0.47) RETDPP4OPRM1ALDH1A1ADRB2
SCHEMBL20147869 0.85 RET (0.49) RETDPP4OPRM1GRIN2DGRIN3B
SCHEMBL20205889 0.79 RET (0.47) RETDPP4OPRM1CHRM1ALDH1A1
SCHEMBL20206049 0.79 RET (0.49) RETDPP4OPRM1GRIN2DGRIN3B
SCHEMBL20147390 0.78 RET (0.46) RETDPP4OPRM1CHRM1KCNH2
SCHEMBL21651969 0.74 HRH3 (0.42) RETDPP4OPRM1CHRM1KCNH2
SCHEMBL20069609 0.73 RET (0.42) RETDPP4OPRM1ALDH1A1ADRB2

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 1/4885DPP4 1963/4885OPRM1 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.