SCHEMBL319963

SCHEMBL319963

COC(=O)CCCC(c1ccccc1)N1CN(c2ccccc2)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 12/20 0.48
ATM Q13315 1/20 0.45
CCR5 P51681 2/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
OPRD1 P41143 1/20 0.43
DDR1 Q08345 3/20 0.41

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
SCHEMBL320184 0.83 OPRL1 (0.43) NPC1L1OPRM1OPRK1OPRL1OPRD1
SCHEMBL318821 0.82 NPC1L1 (0.57) NPC1L1CCR5OPRM1OPRK1OPRL1
SCHEMBL318405 0.82 NPC1L1 (0.53) NPC1L1ATMCCR5OPRM1OPRK1
SCHEMBL318942 0.82 NPC1L1 (0.53) NPC1L1ATMCCR5OPRM1OPRK1
SCHEMBL318404 0.82 NPC1L1 (0.53) NPC1L1ATMCCR5OPRM1OPRK1
SCHEMBL12338068 0.80 OPRM1 (0.59) NPC1L1ATMCCR5OPRM1OPRK1
SCHEMBL8892630 0.79 NPC1L1 (0.67) NPC1L1OPRM1OPRK1OPRL1DDR1
SCHEMBL20187075 0.76 DDR1 (0.62) NPC1L1CCR5DDR1
SCHEMBL318165 0.76 P2RX7 (0.47) OPRM1OPRK1
SCHEMBL7845129 0.75 NPC1L1 (0.58) NPC1L1ATMCCR5DDR1

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 NPC1L1 2825/4885ATM 4273/4885CCR5 409/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NPC1L1 2825/4885ATM 4273/4885CCR5 409/4885

“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.