Toluene

Toluene

SCHEMBL318509

CC(C)(C)OC(=O)C(c1ccccc1)N1CN(c2ccccc2)C2(CCNCC2)C1=O.Cc1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRD1 P41143 5/20 0.43
OPRK1 P41145 5/20 0.43
OPRL1 P41146 5/20 0.43
NPC1L1 Q9UHC9 12/20 0.39
HSD17B10 Q99714 1/20 0.38
BDKRB2 P30411 1/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL318533 0.96 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318532 0.96 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318548 0.96 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL9998873 0.91 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318508 0.85 OPRK1 (0.42) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL319429 0.85 OPRK1 (0.42) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318507 0.85 OPRK1 (0.42) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318086 0.85 OPRL1 (0.48) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318087 0.85 OPRL1 (0.48) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318391 0.85 OPRL1 (0.48) OPRM1OPRD1OPRK1OPRL1NPC1L1

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-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 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-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRM1 92/4885OPRD1 12/4885OPRK1 29/4885

“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.