SCHEMBL26462829

SCHEMBL26462829

CCCC(CC)c1ccc(OC(F)(F)F)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
PDE2A O00408 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
AR P10275 7/20 0.35
GCGR P47871 2/20 0.35
DGKA P23743 4/20 0.34
DGKZ Q13574 4/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TRPA1 O75762 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL21725664 0.80 PDE2A (0.42) PDE2ACTSSCTSKARGCGR
SCHEMBL24910283 0.79 AR (0.46) ACACBPDE2AARTRPA1SCN5A
SCHEMBL26463051 0.78 TAS1R3 (0.35) PDE2ACTSSCTSKAR
SCHEMBL26462841 0.76 CYP2A6 (0.35) CYP11B1CYP11B2CRHR1
SCHEMBL26462805 0.75 CYP11B1 (0.36) ARCYP11B1CYP11B2
SCHEMBL21725493 0.75 NOS2 (0.42) CRHR1
SCHEMBL28083895 0.73 AR (0.46) ACACBCTSSCTSKARTRPA1
SCHEMBL20372748 0.72 PDE2A (0.47) PDE2A
SCHEMBL20372907 0.71 CETP (0.41) PDE2ACTSSCTSK
SCHEMBL19003527 0.70 L3MBTL1 (0.40)

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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R ACACB 2112/4885PDE2A 1028/4885CTSS 3415/4885

“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.