SCHEMBL21652014

SCHEMBL21652014

CCN1CCC(C)(NC(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.52
ALDH1A1 P00352 1/20 0.45
MCHR1 Q99705 1/20 0.43
CNR2 P34972 1/20 0.41
PLD1 Q13393 5/20 0.41
PLD2 O14939 4/20 0.41
RET P07949 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.40
DRD2 P14416 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CCR3 P51677 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL20069737 0.85 MEN1 (0.54) CHRM1ALDH1A1CNR2RETCYP2D6
SCHEMBL21652021 0.85 HSD11B1 (0.46) ALDH1A1MCHR1PLD1PLD2CYP2D6
SCHEMBL21652027 0.84 NPC1 (0.53) ALDH1A1MCHR1CYP2D6CCR3
SCHEMBL21652026 0.83 MCHR1 (0.45) CHRM1MCHR1CNR2RETDRD2
SCHEMBL21504283 0.82 TAS1R3 (0.49) CNR2IDO1TAS1R3TAS1R1TAS1R2
SCHEMBL20147555 0.82 PLD1 (0.46) ALDH1A1MCHR1CNR2PLD1PLD2
SCHEMBL21652022 0.81 CCR3 (0.50) RETDRD2TAS1R3TAS1R1TAS1R2
SCHEMBL20206040 0.79 DPP4 (0.43) ALDH1A1MCHR1RETMEN1KMT2A
SCHEMBL21652023 0.78 CCR3 (0.49) ALDH1A1MCHR1CNR2RETDRD2
SCHEMBL22857090 0.77 NPC1 (0.48) ALDH1A1RETCYP3A4CYP2D6CCR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 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 (2 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CHRM1 2035/4885ALDH1A1 2547/4885MCHR1 1063/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CHRM1 2035/4885ALDH1A1 2547/4885MCHR1 1063/4885

“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.