SCHEMBL22857024

SCHEMBL22857024

CCN1CCC(C)(NC(=O)c2cc(C)cc(C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
MCHR1 Q99705 1/20 0.38
CTSA P10619 2/20 0.37
SMYD3 Q9H7B4 4/20 0.36
ACKR3 P25106 1/20 0.36
ADAM17 P78536 1/20 0.36
CCR3 P51677 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
RAD52 P43351 1/20 0.34
GALK1 P51570 1/20 0.34
OGA O60502 1/20 0.34
MGLL Q99685 1/20 0.34
CLK1 P49759 1/20 0.33
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL20205894 0.86 RET (0.42) RETMCHR1CTSASMYD3ACKR3
SCHEMBL20147628 0.82 RET (0.40) RETMCHR1CTSASMYD3ACKR3
SCHEMBL21651990 0.77 RET (0.43) RETMCHR1ADAM17CCR3OPRM1
SCHEMBL21651995 0.76 MCHR1 (0.45) RETMCHR1CTSAADAM17CCR3
SCHEMBL25504243 0.75 ACKR3 (0.45) RETMCHR1SMYD3ACKR3
SCHEMBL21651966 0.75 P2RX7 (0.41) RETMCHR1ADAM17CCR3OPRM1
SCHEMBL21652051 0.73 RAD52 (0.46) RETOPRD1RAD52KMT2A
SCHEMBL25504255 0.72 P2RX7 (0.48) RETMCHR1SMYD3ACKR3CCR3
SCHEMBL25504106 0.72 RET (0.45) RETCCR3
SCHEMBL25504101 0.72 RET (0.45) RETMCHR1CCR3

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 1/4885MCHR1 1063/4885CTSA 4544/4885

“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.