SCHEMBL31377898

SCHEMBL31377898

O=Cc1ccc2c(ccn2CCc2ccc(F)c(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.48
▸ PLA2G4A P47712 1/20 0.42
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ RORC P51449 5/20 0.37
▸ CDK4 P11802 3/20 0.37
▸ CCND1 P24385 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL32683840 0.87 CYP2A6 (0.47) CYP2A6PLA2G4ANPC1HSP90AA1EPHX2
SCHEMBL28888476 0.81 CYP2A6 (0.53) CYP2A6PLA2G4ARORCCDK4CCND1
SCHEMBL31377852 0.80 HTR2A (0.40) HTR2AHTR2CDAORORCCDK4
SCHEMBL31377764 0.80 HTR2A (0.46) HTR2AHTR2CDAORORCCDK4
SCHEMBL28396139 0.79 CYP2A6 (0.60) CYP2A6PLA2G4AHTR2AHTR2CCDK4
SCHEMBL18002567 0.76 FGFR1 (0.47) CYP2A6NPC1HSP90AA1HDAC3HDAC4
SCHEMBL6709396 0.76 HDAC3 (0.53) CYP2A6PLA2G4ANPC1HSP90AA1EPHX2
SCHEMBL28623782 0.75 CYP2A6 (0.58) CYP2A6PLA2G4ACDK4CCND1NPC1
SCHEMBL31258068 0.74 NPC1 (0.52) CYP2A6PLA2G4AHTR2AHTR2CNPC1
SCHEMBL31674269 0.73 APP (0.46) CYP2A6PLA2G4ANPC1HSP90AA1HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743174-A1 MODULATORS OF CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY Aconcagua Bio, Inc. (US) 2026-05-20 — — EP disclosed
US-20250042916-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO, INC. 2025-02-06 — — US disclosed
WO-2025015268-A1 MODULATORS OF CALCITONIN RECEPTOR AND/OR AMYLIN RECEPTOR ACTIVITY ACONCAGUA BIO, INC. (US) 2025-01-16 — — WO 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-20250042916-A1 COMPOUNDS, COMPOSITIONS, AND METHODS IAPP, GIPR, GPR119 CYP2A6 3708/4885PLA2G4A 364/4885HTR2A 586/4885

“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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