SCHEMBL22857090

SCHEMBL22857090

CCN1CCC(C)(NC(=O)c2cccc(F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2D6 P10635 6/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
CCR3 P51677 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RET P07949 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL21652027 0.93 NPC1 (0.53) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL20068946 0.81 CYP2C19 (0.61) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL20147536 0.81 CYP2D6 (0.46) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL21652026 0.80 MCHR1 (0.45) NPC1RAB9AL3MBTL1ANO1CCR3
SCHEMBL20158868 0.79 CCR3 (0.42) NPC1RAB9ACCR3RETSMN1; SMN2
SCHEMBL20147574 0.78 CYP2D6 (0.48) NPC1RAB9ACYP2D6CYP2C9CYP2C19
SCHEMBL21652021 0.77 HSD11B1 (0.46) CYP2D6LMNACCR3ALDH1A1
SCHEMBL21652014 0.77 CHRM1 (0.52) CYP2D6CYP3A4CCR3ALDH1A1RET
SCHEMBL20206040 0.76 DPP4 (0.43) NPC1RAB9AL3MBTL1CCR3ALDH1A1
SCHEMBL21652054 0.74 RET (0.43) RET

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 NPC1 4145/4885RAB9A 632/4885CYP2D6 3759/4885

“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.