SCHEMBL320119

SCHEMBL320119

COC(=O)CC(c1ccccc1)N1CN(c2ccccc2)C2(CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.49
HTR7 P34969 9/20 0.48
LMNA P02545 2/20 0.48
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
DRD3 P35462 2/20 0.48
MEN1 O00255 1/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL318165 0.92 P2RX7 (0.47) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL320083 0.91 P2RX7 (0.53) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL318695 0.88 P2RX7 (0.51) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL318604 0.88 P2RX7 (0.51) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL318603 0.88 P2RX7 (0.51) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL10248378 0.86 P2RX7 (0.49) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL318698 0.86 P2RX7 (0.51) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL18601833 0.85 P2RX7 (0.52) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL10248306 0.85 P2RX7 (0.53) P2RX7HTR7LMNADRD2HTR2A
SCHEMBL10248297 0.85 P2RX7 (0.53) P2RX7HTR7LMNADRD2HTR2A

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 P2RX7 363/4885HTR7 171/4885LMNA 4596/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 P2RX7 363/4885HTR7 171/4885LMNA 4596/4885

“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.