SCHEMBL20205744

SCHEMBL20205744

CC(S)N1CCC(C)(C(=O)Nc2c(F)cccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
ALDH1A1 P00352 4/20 0.40
CETP P11597 1/20 0.39
RET P07949 1/20 0.37
NOX1 Q9Y5S8 1/20 0.36
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.34
P2RX7 Q99572 1/20 0.34
XIAP P98170 1/20 0.34
NPY2R P49146 1/20 0.34
HDAC4 P56524 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
SCHEMBL20158642 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL20069163 0.82 OPRD1 (0.40) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL22857089 0.80 DRD2 (0.49) ALDH1A1CETPKMT2AATMNPY2R
SCHEMBL28314925 0.74 RET (0.40) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL20137885 0.74 TSHR (0.44) RETATM
SCHEMBL20328008 0.71 CYP1A2 (0.34) ALDH1A1CETPRETKMT2A
SCHEMBL20205761 0.69 KMT2A (0.46) OPRK1ALDH1A1RETKMT2A
SCHEMBL20147938 0.69 ALDH1A1 (0.53) ALDH1A1CETPNPY2R
SCHEMBL22857029 0.68 JAK2 (0.39) RET
SCHEMBL21733079 0.67 LMNA (0.61) ALDH1A1KMT2A

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 OPRM1 3497/4885OPRD1 2909/4885OPRK1 2369/4885

“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.