SCHEMBL931910

SCHEMBL931910

C[C@H](Br)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.58
TAAR1 Q96RJ0 5/20 0.58
SLC6A2 P23975 3/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
MAOA P21397 1/20 0.58
CYP2A6 P11509 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
SLC18A2 Q05940 1/20 0.54
CYP2D6 P10635 1/20 0.54
TRPA1 O75762 2/20 0.52
EPHX1 P07099 1/20 0.50
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 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
SCHEMBL931909 1.00 SIGMAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL873579 1.00 SIGMAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28743670 0.87 TAAR1 (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9242230 0.81 SIGMAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL207297 0.79 TAAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8857815 0.78 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7452124 0.78 ACE (0.53) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Isobutylbenzene SCHEMBL7493657 0.78 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL30934 0.78 TRPA1 (0.77) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4785594 0.78 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448939-B1 2,3-DIHYDRO-1H-IMIDAZO {1,2-A} PYRIMIDIN-5-ONE DERIVATIVES, THE PREPARATION AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2017-03-01 EP disclosed
US-8828997-B2 2,3-dihydro-1H-imidazo(1,2-a)pyrimidin-5-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-09 US disclosed
US-20120142679-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-07 US disclosed
EP-2448939-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-05-09 EP disclosed
WO-2011001112-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 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 (1 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-20120142679-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF LPXN, LBR, HCLS1 SIGMAR1 22/4885TAAR1 1212/4885SLC6A2 863/4885

“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.