SCHEMBL319967

SCHEMBL319967

COC(=O)c1ccc(CN2CN(c3ccccc3)C3(CCN(C(=O)O)CC3)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 1/20 0.53
NPC1L1 Q9UHC9 7/20 0.51
BDKRB2 P30411 1/20 0.50
OPRL1 P41146 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL318850 0.89 MEN1 (0.53) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL318756 0.89 NPC1L1 (0.61) NPC1L1
SCHEMBL318851 0.87 MEN1 (0.49) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL318727 0.84 OPRL1 (0.53) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL318263 0.82 MEN1 (0.55) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL16244620 0.82 CYP2D6 (0.48) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL319458 0.82 BDKRB2 (0.48) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL20187031 0.81 OPRL1 (0.67) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL319102 0.81 BDKRB2 (0.48) MEN1CYP3A4CYP2D6KMT2ACYP2C9
SCHEMBL319383 0.79 NPC1L1 (0.55) NPC1L1OPRM1OPRK1

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 MEN1 2011/4885CYP3A4 659/4885CYP2D6 250/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 MEN1 2011/4885CYP3A4 659/4885CYP2D6 250/4885

“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.