SCHEMBL10142828

SCHEMBL10142828

Cc1ccccc1CCC1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
TAAR1 Q96RJ0 3/20 0.57
HTR1D P28221 1/20 0.57
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
ADRA2A P08913 1/20 0.55
MAPK1 P28482 1/20 0.51

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
SCHEMBL11293534 0.87 TAAR1 (0.58) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL953620 0.85 TAAR1 (0.68) NISCHTAAR1HTR1DADRA2BADRA2C
SCHEMBL11292075 0.81 TAAR1 (0.73) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11293774 0.81 HTR1D (0.50) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL17886820 0.78 NISCH (0.61) NISCHMAOAMAOBTAAR1ADRA2B
SCHEMBL11299388 0.77 TAAR1 (0.54) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11290819 0.77 TAAR1 (0.71) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11288885 0.77 TAAR1 (0.71) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL10929804 0.76 TAAR1 (0.58) NISCHMAOAMAOBTAAR1HTR1D
SCHEMBL11293013 0.75 TAAR1 (0.69) NISCHMAOAMAOBTAAR1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-8518977-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 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 (6 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NISCH 157/4885MAOA 321/4885MAOB 317/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NISCH 157/4885MAOA 321/4885MAOB 317/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NISCH 157/4885MAOA 321/4885MAOB 317/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NISCH 157/4885MAOA 321/4885MAOB 317/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NISCH 157/4885MAOA 321/4885MAOB 317/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NISCH 157/4885MAOA 321/4885MAOB 317/4885

“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.