SCHEMBL10248043

SCHEMBL10248043

CC(C)CCCn1c(=O)[nH]c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.51
DAO P14920 1/20 0.49
B3GNT2 Q9NY97 1/20 0.46
CBX7 O95931 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
PSMB8 P28062 1/20 0.46
HTR7 P34969 2/20 0.43
LMNA P02545 3/20 0.43
HTR1A P08908 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
SLC22A2 O15244 1/20 0.43
NR1I2 O75469 1/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL10284498 0.85 PGR (0.64) PGRDAOCBX7CDYL2CDYL
SCHEMBL318631 0.84 DAO (0.55) PGRDAOCBX7CDYL2CDYL
SCHEMBL11506760 0.82 DAO (0.56) PGRDAOCBX7CDYL2CDYL
SCHEMBL10284697 0.80 LMNA (0.64) HTR7LMNAHTR1AMAPK1MEN1
SCHEMBL11708301 0.80 DAO (0.57) PGRDAOCBX7CDYL2CDYL
SCHEMBL11703773 0.79 DAO (0.59) PGRDAOB3GNT2CBX7CDYL2
SCHEMBL6910220 0.78 PGR (0.72) PGRDAOCBX7CDYL2CDYL
SCHEMBL9725376 0.78 DAO (0.51) PGRDAOCBX7CDYL2CDYL
Hydrochloric Acid SCHEMBL9725385 0.77 MPO (0.50) PGRDAOCBX7CDYL2CDYL
SCHEMBL9725443 0.76 DAO (0.52) PGRDAOB3GNT2CBX7CDYL2

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
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-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 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 PGR 440/4885DAO 697/4885B3GNT2 1945/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 PGR 440/4885DAO 697/4885B3GNT2 1945/4885

“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.