SCHEMBL9106741

SCHEMBL9106741

O=C(O)C(CC1CCCC1)N1C(=O)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
OPRL1 P41146 6/20 0.44
OPRK1 P41145 6/20 0.44
CCKBR P32239 1/20 0.42
NOTUM Q6P988 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
TRPA1 O75762 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
SCHEMBL9108554 0.84 NAMPT (0.37) OPRM1OPRL1OPRK1CCKBRALDH1A1
SCHEMBL9104376 0.84 GRN (0.39) NOTUMALDH1A1
SCHEMBL9104327 0.84 CCR5 (0.38)
SCHEMBL9106355 0.84 NAMPT (0.37) CCKBRALDH1A1
SCHEMBL9107932 0.84 CNR2 (0.39) NOTUMALDH1A1
SCHEMBL9107495 0.84 PDE5A (0.45) CCKBRPKM
SCHEMBL9106400 0.84 PDE5A (0.38) OPRM1OPRL1OPRK1CCKBRPKM
SCHEMBL9103314 0.81 NPC1 (0.40) NOTUM
SCHEMBL9105977 0.81 HTR2A (0.36) OPRM1OPRL1OPRK1CCKBRHPGD
SCHEMBL9109742 0.81 CCKBR (0.37) CCKBRNOTUMALDH1A1PKM

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT OPRM1 395/4885OPRL1 633/4885OPRK1 146/4885

“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.