SCHEMBL2881289

SCHEMBL2881289

COC(=O)c1ccc(Cc2nc3ccccc3n2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.68
TBXA2R P21731 7/20 0.68
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
FGFR1 P11362 1/20 0.51
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.50
NTRK1 P04629 1/20 0.49
NTRK2 Q16620 1/20 0.49

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
SCHEMBL3495450 0.85 AGTR1 (0.58) DRD2TBXA2RNPC1RAB9ASMN1; SMN2
SCHEMBL2883864 0.84 DRD2 (0.71) DRD2TBXA2RPTGDR2MAPTGAA
SCHEMBL31542083 0.84 POLB (0.56) DRD2TBXA2RNPC1RAB9ASMN1; SMN2
SCHEMBL4763335 0.82 RAB9A (0.67) DRD2TBXA2RNPC1RAB9ASMN1; SMN2
SCHEMBL2901910 0.81 DRD2 (0.70) DRD2TBXA2RNPC1RAB9APTGDR2
SCHEMBL21643773 0.81 DRD2 (0.72) DRD2TBXA2RNPC1RAB9ASMN1; SMN2
SCHEMBL23280181 0.81 IDH1 (0.60) DRD2TBXA2RNPC1RAB9ASMN1; SMN2
SCHEMBL3497080 0.80 DRD2 (0.47) DRD2TBXA2RNPC1RAB9AHDAC6
SCHEMBL8068425 0.80 DRD2 (0.47) DRD2TBXA2RNPC1RAB9AHDAC6
SCHEMBL3497077 0.80 DRD2 (0.47) DRD2TBXA2RNPC1RAB9AHDAC6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089333-A1 D1363 BT RADIATION CURABLE PRIMARY COATINGS ON OPTICAL FIBER DSMIP Assets B.V. (NL) 2009-08-19 EP claimed
WO-2008076299-A1 D1363 BT RADIATION CURABLE PRIMARY COATINGS ON OPTICAL FIBER DSM IP ASSETS B.V. (NL) 2008-06-26 WO claimed
CN-103732589-B Can be used as the sulphonamide of the replacement of anti-apoptotic BCL inhibitor BRISTOL-MYERS SQUIBB CO. (US) 2016-03-30 CN disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
EP-2162136-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-03-17 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 WO disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 DRD2 419/4885TBXA2R 337/4885NPC1 1234/4885
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 DRD2 300/4885TBXA2R 434/4885NPC1 1221/4885

“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.