SCHEMBL3229702

SCHEMBL3229702

NCCCCCOc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.73
TAAR1 Q96RJ0 1/20 0.71
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
LTA4H P09960 1/20 0.61
PLA2G2A P14555 1/20 0.61

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
SCHEMBL10591581 1.00 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL8041092 1.00 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL3213446 1.00 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL8040666 1.00 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL8035165 1.00 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL2674837 1.00 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL3222537 1.00 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL1643773 1.00 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1
SCHEMBL2528 0.98 KCNA3 (0.76) KCNA3TAAR1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7091202 0.95 KCNA3 (0.73) KCNA3TAAR1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010004016-A1 USE OF PHENOXYALKYLAMINES IN COSMETIC AND/OR DERMATOLOGICAL COMPOSITIONS L'OREAL (FR) 2010-01-14 WO disclosed
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
US-6114534-A REACTING A KETONE DERIVATIVE OF CARBAMOYL SUBSTITUTED HETEROCYCLE WITH PHOSPHORANE, FOLLOWED BY ACIDIFICATION TO FORM AN ANTICOAGULANT ELI LILLY AND COMPANY (US) 2000-09-05 US disclosed
US-6075147-A OMEGA-PHENYL-OMEGA-(3-PYRIDYL)-OMEGA-ALKENOIC ACID DERIVATIVES BEARING A CARBAMOYL SUBSTITUTED OXAZOLYL OR OXAZOLINYL GROUP ON THE PHENYL RING IS USEFUL FOR THROMBOXANE RECEPTOR ANTAGONSIM OR THROMBOXANE SYNTHASE INHIBITOR ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-6031095-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-5849922-A Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed
US-5849766-A Carbamoyl substituted heterocycles ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
EP-0816361-A2 Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0811621-A2 Carbamoyl substituted oxazoles as thromboxane receptor antagonists ELI LILLY AND COMPANY (US) 1997-12-10 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed
EP-0183147-A2 Beta-substituted aminophenethylazol derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-06-04 EP disclosed
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 US disclosed
US-4053611-A SUBSTITUTED PHENOXYALKYL QUATERNARY AMMONIUM COMPOUNDS AS ANTIARRHYTHEMIC AGENTS THE DOW CHEMICAL COMPANY (US) 1977-10-11 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 (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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 KCNA3 863/4885TAAR1 76/4885HDAC3 88/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 KCNA3 863/4885TAAR1 76/4885HDAC3 88/4885

“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.