SCHEMBL318264

SCHEMBL318264

O=C(OCc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.72
HTR2C P28335 5/20 0.70
SLC6A3 Q01959 4/20 0.70
ADORA3 P0DMS8 3/20 0.70
HTR1A P08908 3/20 0.70
OPRM1 P35372 8/20 0.65
AVPR1A P37288 4/20 0.65
DRD3 P35462 4/20 0.55
HTR7 P34969 3/20 0.55
CYP1A2 P05177 3/20 0.55
ADRB1 P08588 3/20 0.55
CYP2D6 P10635 3/20 0.55
DRD2 P14416 3/20 0.55
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
HTR2A P28223 3/20 0.55
SLC6A4 P31645 3/20 0.55
ADRA1A P35348 3/20 0.55
HRH1 P35367 3/20 0.55
HTR2B P41595 3/20 0.55

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
SCHEMBL318741 0.93 OPRK1 (0.83) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL11043785 0.86 PLD1 (0.56) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL12315517 0.84 OPRK1 (0.73) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL9998386 0.81 OPRM1 (0.60) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL15494151 0.80 OPRM1 (0.60) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL20187097 0.79 OPRM1 (0.84) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL318440 0.79 CCR5 (0.62) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL9225104 0.77 OPRM1 (0.61) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL318843 0.76 OPRK1 (0.56) OPRK1HTR2CSLC6A3ADORA3HTR1A
SCHEMBL12340733 0.75 OPRK1 (0.58) OPRK1HTR2CSLC6A3ADORA3HTR1A

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 29/4885HTR2C 36/4885SLC6A3 24/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRK1 29/4885HTR2C 36/4885SLC6A3 24/4885

“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.