SCHEMBL2675787

SCHEMBL2675787

CN1CCC(N2CCCc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.57
HTR2B P41595 3/20 0.57
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOTUM Q6P988 1/20 0.45
AGTR2 P50052 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
NOS2 P35228 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCD O00767 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2675247 0.95 HTR2C (0.56) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL2675996 0.90 OPRM1 (0.62) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL21307175 0.86 HTR2C (0.60) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL21307179 0.86 HTR2C (0.60) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL8275622 0.84 OPRM1 (0.54) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL3870991 0.83 OPRM1 (0.60) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL5871428 0.82 HTR2C (0.83) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL16948341 0.81 HTR2C (0.59) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL10652419 0.81 HTR2C (0.71) HTR2CHTR2BOPRM1OPRD1OPRK1
SCHEMBL12638317 0.81 HTR2C (0.71) HTR2CHTR2BOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435960-B1 IMIDAZO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINES AS ADENOSINE A2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-07-30 EP disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
EP-2295047-A2 Use of adenosine A2a receptor antagonists for the treatment of restless leg syndrome and other movement disorders Schering Corporation (US) 2011-03-16 EP disclosed
EP-2269596-A2 Use of adenosine A2a receptor antagonists for the treatment of extrapyramidal syndrome and other movement disorders Schering Corporation (US) 2011-01-05 EP disclosed
EP-1578409-B1 USE OF ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATMENT OR PREVENTION OF EXTRA-PYRAMIDAL SYNDROME SCHERING CORP (US) 2010-12-08 EP disclosed
EP-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 EP disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-7414058-B2 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION (US) 2008-08-19 US disclosed
WO-2007047293-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS SCHERING CORPORATION (US) 2007-04-26 WO disclosed
WO-2007038212-A1 ADENOSINE A2a RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS SCHERING CORPORATION (US) 2007-04-05 WO disclosed
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION 2004-07-15 US disclosed
WO-2003032996-A1 IMIDAZO (4,3-E)-1,2,4-TRIAZOLO(1,5-C) PYRIMIDINES AS ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-04-24 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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 HTR2C 1041/4885HTR2B 1332/4885OPRM1 779/4885
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders ADORA2A, ADORA3, ADORA2B HTR2C 21/4885HTR2B 11/4885OPRM1 249/4885

“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.