SCHEMBL22773257

SCHEMBL22773257

Cn1cc(C(=C2CCN(C(=O)O)CC2)c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 1/20 0.53
▸ FNTA P49354 1/20 0.48
▸ FNTB P49356 1/20 0.48
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ OPRD1 P41143 7/20 0.45
▸ OPRK1 P41145 6/20 0.41
▸ OPRM1 P35372 5/20 0.41
▸ PTAFR P25105 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HTR3A P46098 1/20 0.39

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
SCHEMBL12752301 0.90 SETD7 (0.50) SETD7FNTAFNTBRAB9ASMN1; SMN2
SCHEMBL1472918 0.84 GPR119 (0.48) SETD7FNTAFNTB
SCHEMBL14252952 0.80 SETD7 (0.51) SETD7FNTAFNTBRAB9ASMN1; SMN2
SCHEMBL22773372 0.79 OPRD1 (0.49) SETD7FNTAFNTBRAB9ASMN1; SMN2
SCHEMBL22491496 0.75 FNTA (0.47) SETD7FNTAFNTBOPRD1OPRK1
SCHEMBL22773331 0.74 SETD7 (0.50) SETD7FNTAFNTBOPRD1OPRK1
SCHEMBL22491409 0.74 SETD7 (0.50) SETD7FNTAFNTBOPRD1OPRK1
SCHEMBL17714090 0.73 PROKR1 (0.48) RAB9ASMN1; SMN2
SCHEMBL5702311 0.73 ALDH1A1 (0.52) RAB9ASMN1; SMN2LMNAHPGDHDAC3
SCHEMBL12752306 0.72 FNTA (0.47) FNTAFNTBSMN1; SMN2OPRD1LMNA

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 2 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

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 1281/4885FNTA 2173/4885FNTB 1487/4885

“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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