SCHEMBL31566056

SCHEMBL31566056

O=C(NC1CCCC1)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ HRH3 Q9Y5N1 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MOGAT2 Q3SYC2 1/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ NAMPT P43490 2/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ CCR2 P41597 3/20 0.41
▸ MAP3K5 Q99683 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31566060 0.96 POLB (0.49) POLBHRH3LIPEEPHX2ESR1
SCHEMBL31566015 0.88 CCR2 (0.46) POLBNAMPTEPHX2ESR1ESR2
SCHEMBL13718416 0.86 POLB (0.59) POLBCNR1CNR2MOGAT2NAMPT
SCHEMBL31566007 0.84 HRH3 (0.57) HRH3LIPEESR1ESR2CCR2
SCHEMBL31566016 0.84 ESR1 (0.47) HRH3LIPENAMPTESR1ESR2
SCHEMBL31565979 0.82 KEAP1 (0.50) POLBHRH3LIPEESR1ESR2
SCHEMBL13717559 0.82 POLB (0.52) POLBESR1ESR2CCR2
SCHEMBL31565948 0.82 LIPE (0.48) POLBLIPEESR1ESR2ALDH1A1
SCHEMBL3992628 0.82 NAMPT (0.48) HRH3MOGAT2LIPENAMPTESR1
SCHEMBL3989312 0.81 LIPE (0.48) HRH3LIPEESR1ESR2KCNH2

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 POLB 4483/4885HRH3 1373/4885CNR1 1387/4885

“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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