SCHEMBL318361

SCHEMBL318361

COC(=O)c1cccc(CN2CN(c3ccc(OC)cc3)C3(CCNCC3)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
CHRM3 P20309 3/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
OPRL1 P41146 2/20 0.38

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
SCHEMBL320054 0.92 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL318449 0.91 MEN1 (0.50) MRGPRX4MEN1KMT2ACYP3A4CYP2D6
SCHEMBL16244620 0.88 CYP2D6 (0.48) MRGPRX4MEN1KMT2ACYP3A4CYP2D6
SCHEMBL9999132 0.87 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL318528 0.84 NPC1L1 (0.49) MRGPRX4MEN1KMT2ACYP3A4CYP2D6
SCHEMBL319002 0.82 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL318706 0.81 KMT2A (0.47) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL319332 0.81 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL318851 0.81 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL10248501 0.81 MEN1 (0.50) MEN1KMT2ACYP3A4CYP2D6CYP2C9

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 MRGPRX4 366/4885MEN1 2011/4885KMT2A 2446/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 MRGPRX4 366/4885MEN1 2011/4885KMT2A 2446/4885

“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.