SCHEMBL3419759

SCHEMBL3419759

N[C@@H]1C[C@H]1c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.61
HTR2A P28223 1/20 0.61
HTR2B P41595 1/20 0.61
KDM1A O60341 14/20 0.60
MAOB P27338 9/20 0.56
MAOA P21397 7/20 0.56
CYP2C19 P33261 4/20 0.56
CYP2B6 P20813 3/20 0.56
KCNH2 Q12809 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
LMNA P02545 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2A6 P11509 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL3031647 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BKDM1AMAOB
SCHEMBL3422301 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BKDM1AMAOB
SCHEMBL6998583 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BKDM1AMAOB
Trifluoroacetic Acid SCHEMBL3045297 0.85 KDM1A (0.51) HTR2CHTR2AHTR2BKDM1AMAOB
SCHEMBL1645762 0.81 HTR2A (0.50) HTR2CHTR2AHTR2BKDM1ALMNA
SCHEMBL1645763 0.81 HTR2A (0.50) HTR2CHTR2AHTR2BKDM1ALMNA
SCHEMBL1645497 0.81 HTR2A (0.50) HTR2CHTR2AHTR2BKDM1AMAOB
SCHEMBL4253057 0.81 HTR2A (0.50) HTR2CHTR2AHTR2BKDM1AMAOB
SCHEMBL12498168 0.80 HTR2C (0.49) HTR2CHTR2AHTR2BKDM1AMAOB
SCHEMBL13272292 0.79 HTR2A (0.56) HTR2CHTR2AHTR2BKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278972-B2 Synthesis of triazolopyrimidine compounds LEK PHARMACEUTICALS D.D. (SI) 2016-03-08 US disclosed
US-9278972-B2 Synthesis of triazolopyrimidine compounds LEK PHARMACEUTICALS D.D. (SI) 2016-03-08 US disclosed
US-20140371449-A1 Synthesis of Triazolopyrimidine Compounds LEK PHARMACEUTICALS D.D. (SI) 2014-12-18 US disclosed
US-20140371449-A1 Synthesis of Triazolopyrimidine Compounds LEK PHARMACEUTICALS D.D. (SI) 2014-12-18 US disclosed
WO-2013037942-A1 SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2013-03-21 WO disclosed
US-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
US-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
US-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
WO-2010085749-A2 POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS WITH IMPROVED MEMBRANE PERMEABILITY NORTHWESTERN UNIVERSITY (US) 2010-07-29 WO disclosed
CN-1154650-C Novel compounds ������˹ҩƷ��˾ 2004-06-23 CN disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed
CN-1270590-A Novel compounds ASTRA PHARMA PROD (GB) 2000-10-18 CN 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-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NOS1, NOS2, NOS3 HTR2C 2168/4885HTR2A 1266/4885HTR2B 1366/4885
US-20140371449-A1 Synthesis of Triazolopyrimidine Compounds TBXAS1, TYMS, FDPS HTR2C 333/4885HTR2A 388/4885HTR2B 615/4885

“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.