SCHEMBL20206040

SCHEMBL20206040

CCN1CCC(C)(NC(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTR1F P30939 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR3 P51677 1/20 0.41
SLC6A9 P48067 3/20 0.40
MCHR1 Q99705 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RET P07949 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL25503681 0.92 RET (0.42) DPP4ALDH1A1HTR1FMEN1KMT2A
SCHEMBL20068928 0.85 MAPK1 (0.43) DPP4ALDH1A1MEN1KMT2ARET
SCHEMBL21652027 0.83 NPC1 (0.53) ALDH1A1L3MBTL1CCR3MCHR1NPC1
SCHEMBL20147568 0.81 P2RX7 (0.40) DPP4RET
SCHEMBL22660413 0.80 CYP2C19 (0.46) ALDH1A1MEN1KMT2ARET
SCHEMBL20206003 0.80 RET (0.48) RET
SCHEMBL20069736 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASLC6A9RET
SCHEMBL21652021 0.80 HSD11B1 (0.46) ALDH1A1CCR3MCHR1
SCHEMBL21652026 0.80 MCHR1 (0.45) L3MBTL1CCR3MCHR1RETNPC1
SCHEMBL21652014 0.79 CHRM1 (0.52) ALDH1A1MEN1KMT2ACCR3MCHR1

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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 DPP4 1963/4885ALDH1A1 2547/4885HTR1F 2585/4885

“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.