SCHEMBL318391

SCHEMBL318391

COC(=O)[C@H](c1ccccc1)N1CN(c2ccccc2)C2(CCNCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.48
OPRM1 P35372 10/20 0.48
OPRK1 P41145 10/20 0.48
OPRD1 P41143 9/20 0.48
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPC1L1 Q9UHC9 2/20 0.39
BDKRB2 P30411 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NR3C2 P08235 1/20 0.36

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
SCHEMBL318087 1.00 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL318086 1.00 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL318532 0.89 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL318548 0.89 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL318533 0.89 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL10248209 0.88 OPRK1 (0.51) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL10248464 0.88 OPRK1 (0.51) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL318664 0.87 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1KMT2A
Toluene SCHEMBL318509 0.85 OPRM1 (0.43) OPRL1OPRM1OPRK1OPRD1HSD17B10
SCHEMBL319429 0.83 OPRK1 (0.42) OPRL1OPRM1OPRK1OPRD1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 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 (2 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRL1 28/4885OPRM1 92/4885OPRK1 29/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRL1 28/4885OPRM1 92/4885OPRK1 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.