SCHEMBL319102

SCHEMBL319102

O=C(O)N1CCC2(CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)CN2c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.48
OPRM1 P35372 6/20 0.46
OPRK1 P41145 6/20 0.46
OPRD1 P41143 5/20 0.46
OPRL1 P41146 5/20 0.46
ENPP2 Q13822 1/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL318333 0.87 NPC1L1 (0.56) BDKRB2MEN1CYP3A4CYP2D6KMT2A
SCHEMBL319967 0.81 MEN1 (0.53) BDKRB2OPRM1OPRK1OPRL1MEN1
SCHEMBL7760219 0.80 MEN1 (0.72) BDKRB2OPRM1OPRK1OPRD1OPRL1
SCHEMBL319458 0.79 BDKRB2 (0.48) BDKRB2OPRM1OPRK1OPRD1OPRL1
SCHEMBL317968 0.79 OPRK1 (0.50) BDKRB2OPRM1OPRK1OPRD1OPRL1
SCHEMBL318850 0.75 MEN1 (0.53) BDKRB2OPRM1OPRK1OPRD1OPRL1
SCHEMBL5563023 0.74 NPC1L1 (0.64) BDKRB2OPRM1OPRK1OPRD1OPRL1
SCHEMBL18574684 0.74 MEN1 (0.49) BDKRB2OPRM1OPRK1OPRD1OPRL1
SCHEMBL20187165 0.73 DDR1 (0.67) BDKRB2OPRM1OPRK1OPRD1OPRL1
SCHEMBL20187230 0.73 DDR1 (0.68) BDKRB2OPRM1OPRK1OPRD1OPRL1

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 BDKRB2 31/4885OPRM1 92/4885OPRK1 29/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 BDKRB2 31/4885OPRM1 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.