SCHEMBL22491409

SCHEMBL22491409

Cn1ccc(C(=C2CCN(C(=O)O)CC2)c2ccccc2)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 1/20 0.50
▸ OPRD1 P41143 7/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ SLC18A3 Q16572 1/20 0.40
▸ OPRK1 P41145 6/20 0.40
▸ OPRM1 P35372 5/20 0.40
▸ HTR7 P34969 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37

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
SCHEMBL22773284 0.85 SETD7 (0.43) SETD7OPRD1FNTAFNTBSLC18A3
SCHEMBL22491457 0.82 OPRD1 (0.49) SETD7OPRD1SLC18A3OPRK1OPRM1
SCHEMBL22491504 0.74 SETD7 (0.47) SETD7OPRD1FNTAFNTBOPRK1
SCHEMBL22773257 0.74 SETD7 (0.53) SETD7OPRD1FNTAFNTBOPRK1
SCHEMBL22773331 0.72 SETD7 (0.50) SETD7OPRD1FNTAFNTBOPRK1
SCHEMBL22491521 0.72 FNTA (0.46) SETD7OPRD1FNTAFNTBOPRK1
SCHEMBL4079255 0.69 SETD7 (1.00) SETD7OPRD1FNTAFNTBOPRK1
SCHEMBL1256450 0.69 CREBBP (0.42) SLC18A3LMNAPRMT5
SCHEMBL17847937 0.68 OPRD1 (0.46) SETD7OPRD1FNTAFNTBOPRK1
SCHEMBL21381608 0.68 FNTA (0.50) SETD7FNTAFNTB

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-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP 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-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY SETD7 1281/4885OPRD1 1395/4885FNTA 2173/4885

“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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