SCHEMBL318722

SCHEMBL318722

O=C(OCCN1CCOCC1)c1cccc(CN2CN(c3ccccc3)C3(CCN(C(=O)O)CC3)C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
DDR1 Q08345 6/20 0.45
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL320123 0.90 NPC1L1 (0.50) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL318953 0.85 MEN1 (0.47) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL319339 0.84 MEN1 (0.49) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL318209 0.84 MEN1 (0.49) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL318850 0.84 MEN1 (0.53) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL319466 0.82 DDR1 (0.48) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL319931 0.82 DDR1 (0.47) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL318854 0.82 NPC1L1 (0.49) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL318961 0.81 MEN1 (0.46) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2
SCHEMBL318218 0.80 KMT2A (0.50) MEN1CYP3A4CYP2D6KMT2ASMN1; SMN2

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.