SCHEMBL2095321

SCHEMBL2095321

FC(F)(F)Oc1ccccc1CN1CC[N]CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.49
DRD2 P14416 4/20 0.49
DCPS Q96C86 1/20 0.47
CYP2D6 P10635 4/20 0.45
CNR1 P21554 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PDE2A O00408 1/20 0.43
SLC6A2 P23975 4/20 0.43
EPHX2 P34913 3/20 0.43
KCNH2 Q12809 4/20 0.43
SLC6A4 P31645 3/20 0.43
CCR8 P51685 1/20 0.42
MGLL Q99685 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2J2 P51589 1/20 0.41

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
SCHEMBL2094004 0.94 DRD2 (0.51) SLC6A3DRD2DCPSCYP2D6CNR1
SCHEMBL2092351 0.88 CCR8 (0.41) SLC6A3DRD2DCPSCYP2D6CNR1
SCHEMBL24093239 0.84 DRD2 (0.60) SLC6A3DRD2DCPSCYP2D6PDE2A
SCHEMBL2089047 0.84 DRD2 (0.41) SLC6A3DRD2DCPSCYP2D6CNR1
SCHEMBL19974180 0.82 SLC6A4 (0.59) SLC6A3DRD2DCPSCYP2D6HTR2C
SCHEMBL2207645 0.80 MEN1 (0.60) DRD2CYP2D6HTR2BKCNH2
SCHEMBL6941780 0.79 DCPS (0.53) SLC6A3DRD2DCPSCYP2D6PDE2A
SCHEMBL8109175 0.79 DCPS (0.53) SLC6A3DRD2DCPSCYP2D6PDE2A
SCHEMBL1111761 0.78 HRH3 (0.48) DRD2HCRTR1HCRTR2
SCHEMBL2096685 0.76 ALDH1A1 (0.67) CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SLC6A3 3737/4885DRD2 409/4885DCPS 3420/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I SLC6A3 1199/4885DRD2 2323/4885DCPS 2180/4885

“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.