SCHEMBL5223348

SCHEMBL5223348

O=C(Cl)C1CCN(c2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.50
CHKA P35790 1/20 0.50
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
F10 P00742 2/20 0.46
CYP3A4 P08684 1/20 0.45
AKR1C3 P42330 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
CHRM1 P11229 1/20 0.44
NOTUM Q6P988 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
Hydrochloric Acid SCHEMBL6798939 0.98 LSS (0.49) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL742952 0.84 ITGB3 (0.60) LSSCHKAITGB3ITGA2BAKR1C3
SCHEMBL16887557 0.83 CYP2C9 (0.53) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL2780304 0.83 CYP3A4 (0.54) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL3166233 0.83 LSS (0.50) LSSCHKAITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL3319271 0.83 ITGB3 (0.59) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL18248269 0.82 NOTUM (0.64) TSHRNOTUM
SCHEMBL6769264 0.81 LSS (0.50) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL2766365 0.79 NOTUM (0.64) AKR1C3TSHRNOTUM
SCHEMBL5790870 0.79 NOTUM (0.67) CYP3A4AKR1C3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558058-B 1-aryl-3-substituent-5-substituted amino-4-pyrazole formamide compound and application thereof SHAANXI SCIENCE AND ENGINEERING COLLEGE (CN) 2014-10-29 CN disclosed
CN-102558058-A 1-aryl-3-substituent-5-substituted amino-4-pyrazole formamide compound and application thereof UNIV SHAANXI TECHNOLOGY 2012-07-11 CN disclosed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 US disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 US disclosed
EP-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
EP-0880516-A1 AMINOHETEROCYCLIC COMPOUNDS WITH ANTITHROMBOTIC/ANTICOAGULANT EFFECT ZENECA LIMITED (GB) 1998-12-02 EP disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
CN-1164232-A Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LTD (GB) 1997-11-05 CN disclosed
WO-1997029104-A1 AMINOHETEROCYCLIC COMPOUNDS WITH ANTITHROMBOTIC/ANTICOAGULANT EFFECT ZENECA LIMITED (GB) 1997-08-14 WO disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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-20050282862-A1 Aromatic amides F11, F12, F5 LSS 766/4885CHKA 2955/4885ITGB3 2171/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 LSS 3081/4885CHKA 1031/4885ITGB3 4278/4885

“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.