SCHEMBL498601

SCHEMBL498601

[CH2]CCCCCc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.67
NAAA Q02083 1/20 0.56
CYP1A2 P05177 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2C19 P33261 2/20 0.49
HRH3 Q9Y5N1 2/20 0.48
HRH4 Q9H3N8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
CHRM2 P08172 1/20 0.46
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2167965 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL2167104 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL7878429 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL16288588 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL8499503 1.00 HRH1 (0.67) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL498506 0.98 HRH1 (0.63) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL96246 0.92 HRH1 (0.60) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL2096007 0.90 HRH1 (0.56) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL4418086 0.89 HRH1 (0.80) HRH1NAAACYP1A2SMN1; SMN2CYP2C19
SCHEMBL2843489 0.89 HRH1 (0.80) HRH1NAAACYP1A2SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US claimed
EP-1309552-A4 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES UNIV QUEENSLAND (AU) 2005-07-20 EP claimed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US claimed
JP-2004503604-A 2004-02-05 JP claimed
EP-1309552-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2003-05-14 EP claimed
WO-2002008189-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-31 WO claimed
EP-0503426-B1 Quinone derivatives EISAI CO LTD (JP) 1996-12-27 EP claimed
US-5329010-A Unsaturated groups with heteroarylalkyl groups and carboxy derivatives EISAI CO., LTD. (JP) 1994-07-12 US claimed
EP-0503426-A1 Quinone derivatives Eisai Co., Ltd. (JP) 1992-09-16 EP claimed
EP-4383238-A2 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE Mitsubishi Chemical Corporation (JP) 2024-06-12 EP disclosed
EP-3719028-B1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING SAID COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAID COMPOUND, DISPLAY DEVICE AND ILLUMINATION DEVICE MITSUBISHI CHEM CORP (JP) 2024-06-12 EP disclosed
CN-113853381-B Iridium complex compound, composition containing the compound and solvent, organic electroluminescent element containing the compound, display device and lighting device 三菱化学株式会社 2024-06-11 CN disclosed
CN-111263766-B Iridium complex compound, composition containing the compound and solvent, organic electroluminescent element containing the compound, display device and lighting device 三菱化学株式会社 2024-04-02 CN disclosed
WO-2024004963-A1 ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT, ORGANIC EL DISPLAY DEVICE, ORGANIC EL LIGHTING, ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT-FORMING COMPOSITION, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT LIGHT-EMITTING ELEMENT 三菱ケミカル株式会社 2024-01-04 WO disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 EP disclosed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP 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 (1 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-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A HRH1 1315/4885NAAA 120/4885CYP1A2 2230/4885

“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.