SCHEMBL318902

SCHEMBL318902

O=C(O)[C@H](c1ccccc1)N1CN(c2ccccc2)C2(CCN(C(=O)OCc3ccccc3)CC2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.50
ADORA3 P0DMS8 2/20 0.49
HTR2C P28335 2/20 0.49
HTR1A P08908 1/20 0.49
SLC6A3 Q01959 1/20 0.49
OPRM1 P35372 11/20 0.47
OPRD1 P41143 9/20 0.47
OPRL1 P41146 7/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AVPR1A P37288 2/20 0.45
DRD5 P21918 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2C19 P33261 1/20 0.41
BDKRB2 P30411 1/20 0.40
KDM1A O60341 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
SCHEMBL318664 0.79 OPRL1 (0.54) OPRK1OPRM1OPRD1OPRL1MEN1
SCHEMBL319477 0.78 OPRK1 (0.52) OPRK1ADORA3HTR2CHTR1ASLC6A3
SCHEMBL318917 0.77 OPRK1 (0.51) OPRK1ADORA3HTR2CHTR1ASLC6A3
SCHEMBL318942 0.77 NPC1L1 (0.53) OPRK1OPRM1OPRD1OPRL1
SCHEMBL318405 0.77 NPC1L1 (0.53) OPRK1OPRM1OPRD1OPRL1
SCHEMBL318404 0.77 NPC1L1 (0.53) OPRK1OPRM1OPRD1OPRL1
SCHEMBL18601780 0.77 OPRK1 (0.50) OPRK1ADORA3HTR2CHTR1ASLC6A3
SCHEMBL10248635 0.77 OPRK1 (0.50) OPRK1ADORA3HTR2CHTR1ASLC6A3
SCHEMBL318945 0.76 OPRM1 (0.51) OPRK1OPRM1OPRD1OPRL1
SCHEMBL10248761 0.76 OPRK1 (0.49) OPRK1ADORA3HTR2CHTR1ASLC6A3

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 6 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
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
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP 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 OPRK1 29/4885ADORA3 21/4885HTR2C 36/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRK1 29/4885ADORA3 21/4885HTR2C 36/4885

“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.