SCHEMBL4107151

SCHEMBL4107151

NCc1ccnc(CN)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 16/20 0.61
LOX P28300 5/20 0.61
LOXL3 P58215 1/20 0.61
ROCK1 Q13464 1/20 0.47
ADRB2 P07550 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
Hydrochloric Acid SCHEMBL5013442 0.98 LOXL2 (0.59) LOXL2LOXLOXL3ROCK1ADRB2
SCHEMBL1654460 0.84 LOXL2 (0.55) LOXL2LOXLOXL3ROCK1NOS3
SCHEMBL2642380 0.84 RECQL (0.55) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL15200880 0.84 NOS3 (0.61) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL16583871 0.84 LOXL2 (0.52) LOXL2LOXLOXL3ADRB2
SCHEMBL9817617 0.84 LOXL2 (0.55) LOXL2LOXLOXL3ROCK1
Hydrochloric Acid SCHEMBL17372124 0.82 LOXL2 (0.53) LOXL2LOXLOXL3ROCK1
SCHEMBL352525 0.80 LOXL2 (0.61) LOXL2LOXLOXL3ROCK1ADRB2
SCHEMBL25203651 0.79 LOXL2 (0.59) LOXL2LOXLOXL3ROCK1
SCHEMBL10651314 0.79 LOXL2 (0.46) LOXL2LOXLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor PFIZER INC 2004-08-12 US claimed
US-6720330-B2 INCREASING SECRETION OF GROWTH HORMONE, GASTRIN, OR GLUCAGON IN A MAMMAL; INHIBITING THE BINDING OF SOMATOSTATIN TO AN SST2 RECEPTOR PFIZER INC. 2004-04-13 US claimed
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor HAY BRUCE A (US) 2002-07-11 US claimed
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor PFIZER INC 2004-08-12 US disclosed
US-6720330-B2 INCREASING SECRETION OF GROWTH HORMONE, GASTRIN, OR GLUCAGON IN A MAMMAL; INHIBITING THE BINDING OF SOMATOSTATIN TO AN SST2 RECEPTOR PFIZER INC. 2004-04-13 US disclosed
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor HAY BRUCE A (US) 2002-07-11 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 (4 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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 LOXL2 3456/4885LOX 1905/4885LOXL3 2432/4885
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 LOXL2 3186/4885LOX 3542/4885LOXL3 3410/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 LOXL2 1563/4885LOX 729/4885LOXL3 1561/4885
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 LOXL2 3246/4885LOX 3606/4885LOXL3 3425/4885

“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.