SCHEMBL26420907

SCHEMBL26420907

CCCCC(CC)c1cc(C(F)(F)F)cc(C#N)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.37
CTSK P43235 7/20 0.37
HMGCR P04035 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
AR P10275 4/20 0.33
RIPK1 Q13546 1/20 0.33
KCNH2 Q12809 2/20 0.32
TACR1 P25103 1/20 0.32
SLC6A4 P31645 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL26418878 0.75 CYP3A4 (0.40) CTSSCTSKMBOAT4ARKCNH2
SCHEMBL26420846 0.70 KDM4E (0.37) CTSSCTSKHMGCRAR
SCHEMBL23510582 0.69 NR1I2 (0.37) CTSSCTSKKCNH2
SCHEMBL24988667 0.69 HMGCR (0.41) HMGCRKCNH2
SCHEMBL28262846 0.68 RIPK1 (0.38) CTSSCTSKARRIPK1PTGES
SCHEMBL26774063 0.68 POLB (0.39) PTGESALOX5PPARG
SCHEMBL23059308 0.67 CTSS (0.35) CTSSCTSKKCNH2
SCHEMBL2336364 0.67 MBOAT4 (0.42) CTSSCTSKMBOAT4KCNH2TACR1
SCHEMBL29349713 0.67 MBOAT4 (0.42) CTSSCTSKMBOAT4KCNH2TACR1
SCHEMBL2563256 0.67 CTSS (0.40) CTSSCTSKMBOAT4RIPK1KCNH2

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-20230126662-A1 SPIROCYCLIC PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-04-27 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-20230126662-A1 SPIROCYCLIC PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC2R, MC1R, MC3R CTSS 2848/4885CTSK 2563/4885HMGCR 2507/4885

“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.