SCHEMBL31565954

SCHEMBL31565954

O=C(CC1CCOC1)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.44
▸ CCR2 P41597 5/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ FAP Q12884 1/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ LIPE Q05469 1/20 0.39
▸ CPT2 P23786 2/20 0.39
▸ CPT1A P50416 2/20 0.39
▸ F10 P00742 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 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
SCHEMBL31565984 0.94 CCR2 (0.44) NAMPTCCR2KCNH2FAPESR1
SCHEMBL31566094 0.92 ESR1 (0.43) CCR2KCNH2FAPESR1ESR2
SCHEMBL25969989 0.91 NAMPT (0.42) NAMPTCCR2KCNH2SCN9AESR1
SCHEMBL3992628 0.88 NAMPT (0.48) NAMPTKCNH2FAPESR1ESR2
SCHEMBL31565899 0.84 LIPE (0.41) NAMPTSCN9AFAPESR1ESR2
SCHEMBL31565989 0.83 RORC (0.43) NAMPTFAPESR1ESR2LIPE
SCHEMBL31566005 0.82 FAP (0.43) NAMPTKCNH2SCN9AFAPESR1
SCHEMBL31566015 0.81 CCR2 (0.46) NAMPTCCR2KCNH2SCN9AESR1
SCHEMBL31565889 0.80 ESR1 (0.47) ESR1ESR2LIPE
SCHEMBL31565857 0.79 LIPE (0.45) FAPESR1ESR2LIPE

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-20250129028-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-04-24 — — 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-20250129028-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, LATS1 NAMPT 3316/4885CCR2 3845/4885KCNH2 3526/4885

“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.

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