SCHEMBL375097

SCHEMBL375097

C[N]CCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 1/20 0.55
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALOX15 P16050 1/20 0.53
NAAA Q02083 1/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44

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
SCHEMBL6219743 0.88 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL5499742 0.83 HRH1 (0.59) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL29485678 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL230753 0.79 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL3581477 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL21122917 0.79 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL12807573 0.79 HRH1 (0.50) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL1140168 0.78
SCHEMBL9059102 0.77 HRH1 (0.49) HRH1HRH3ALDH1A1LMNATAAR1
Bromide SCHEMBL28641396 0.77 HRH1 (0.70) HRH1HRH3ALDH1A1LMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2011-11-24 US claimed
EP-2342173-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS Novartis AG (CH) 2011-07-13 EP claimed
WO-2010043584-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2010-04-22 WO claimed
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US claimed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US claimed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 US claimed
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006089286-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. (US) 2006-08-24 WO claimed
EP-1660458-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2006-05-31 EP claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
WO-2005016894-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2005-02-24 WO claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
US-6515122-B1 The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing tetracyclic benzimidazole derivative compounds. LION BIOSCIENCE AG (DE) 2003-02-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed

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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS HRH1 4213/4885HRH3 4521/4885ALDH1A1 2784/4885
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS FDPS, GGPS1, COASY HRH1 3588/4885HRH3 4432/4885ALDH1A1 643/4885
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide KCNJ2, KCNJ5, KCNA5 HRH1 708/4885HRH3 1349/4885ALDH1A1 822/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 HRH1 3066/4885HRH3 3113/4885ALDH1A1 1627/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R HRH1 99/4885HRH3 126/4885ALDH1A1 3792/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 HRH1 3900/4885HRH3 4258/4885ALDH1A1 1357/4885

“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.