SCHEMBL318741

SCHEMBL318741

O=C(OCc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.83
HTR2C P28335 3/20 0.80
ADORA3 P0DMS8 2/20 0.80
SLC6A3 Q01959 2/20 0.80
HTR1A P08908 1/20 0.80
OPRM1 P35372 7/20 0.74
AVPR1A P37288 3/20 0.74
OPRL1 P41146 5/20 0.62
OPRD1 P41143 4/20 0.62
DRD3 P35462 2/20 0.59
SLC6A9 P48067 1/20 0.56
CCR5 P51681 2/20 0.55
CACNA1F O60840 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRB1 P08588 1/20 0.54
DRD2 P14416 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54

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
SCHEMBL318264 0.93 OPRK1 (0.72) OPRK1HTR2CADORA3SLC6A3HTR1A
SCHEMBL12315517 0.91 OPRK1 (0.73) OPRK1HTR2CADORA3SLC6A3HTR1A
SCHEMBL318707 0.81 HSD17B10 (0.65) OPRK1HTR2COPRM1AVPR1AOPRL1
SCHEMBL12340733 0.81 OPRK1 (0.58) OPRK1HTR2CADORA3SLC6A3HTR1A
SCHEMBL318858 0.81 CCR5 (0.75) OPRK1HTR2CADORA3SLC6A3HTR1A
SCHEMBL318843 0.80 OPRK1 (0.56) OPRK1HTR2CADORA3SLC6A3HTR1A
SCHEMBL13925107 0.80 OPRK1 (0.59) OPRK1HTR2CADORA3SLC6A3HTR1A
SCHEMBL21634299 0.79 HSD17B10 (0.62) OPRK1HTR2COPRM1AVPR1AOPRL1
SCHEMBL1761014 0.79 OPRL1 (0.64) OPRK1HTR2COPRM1AVPR1AOPRL1
SCHEMBL21634315 0.78 HSD17B10 (0.60) OPRK1HTR2COPRM1AVPR1AOPRL1

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 15 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-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-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-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 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
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 OPRK1 29/4885HTR2C 36/4885ADORA3 21/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRK1 29/4885HTR2C 36/4885ADORA3 21/4885

“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.