SCHEMBL318727

SCHEMBL318727

COC(=O)c1ccccc1CN1CN(c2ccccc2)C2(CCN(C(=O)O)CC2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.53
BDKRB2 P30411 1/20 0.50
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1L1 Q9UHC9 7/20 0.47
OPRM1 P35372 4/20 0.47
OPRK1 P41145 4/20 0.47
OPRD1 P41143 3/20 0.44
DRD5 P21918 1/20 0.44
DDR1 Q08345 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL319005 0.89 NPC1L1 (0.57) OPRL1BDKRB2NPC1L1DDR1
SCHEMBL318845 0.87 OPRL1 (0.49) OPRL1BDKRB2MEN1CYP3A4CYP2D6
SCHEMBL319967 0.84 MEN1 (0.53) OPRL1BDKRB2MEN1CYP3A4CYP2D6
SCHEMBL318850 0.82 MEN1 (0.53) OPRL1BDKRB2MEN1CYP3A4CYP2D6
SCHEMBL20187031 0.81 OPRL1 (0.67) OPRL1BDKRB2MEN1CYP3A4CYP2D6
SCHEMBL18601755 0.80 NPC1L1 (0.59) OPRL1BDKRB2NPC1L1OPRM1OPRK1
SCHEMBL317867 0.79 NPC1L1 (0.50) OPRL1BDKRB2NPC1L1OPRM1OPRK1
SCHEMBL318435 0.78 HTR7 (0.48) OPRL1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL318199 0.77 NPC1L1 (0.54) OPRL1BDKRB2MEN1CYP3A4CYP2D6
SCHEMBL318495 0.77 NPC1L1 (0.45) OPRL1BDKRB2MEN1CYP3A4CYP2D6

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 4 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
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 (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 28/4885BDKRB2 31/4885MEN1 2011/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRL1 28/4885BDKRB2 31/4885MEN1 2011/4885

“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.