SCHEMBL6180189

SCHEMBL6180189

O=C(CN1CCN(c2ccncc2)CC1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
ADRB2 P07550 1/20 0.57
NCF1 P14598 1/20 0.57
PLD1 Q13393 1/20 0.57
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
LMNA P02545 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
SCHEMBL7444560 0.81 ADRB2 (0.66) ALDH1A1ADRB2NCF1PLD1SMN1; SMN2
SCHEMBL7400434 0.80 ALDH1A1 (0.58) ALDH1A1MAPTGFERSMN1; SMN2PKM
Hydrochloric Acid SCHEMBL8837988 0.79 ALDH1A1 (0.57) ALDH1A1MAPTGFERSMN1; SMN2PKM
SCHEMBL7393626 0.78 ITGB3 (0.57) ALDH1A1MAPTGFERSMN1; SMN2PKM
SCHEMBL10402097 0.77 CHKA (0.50) ALDH1A1MAPTADRB2NCF1PLD1
SCHEMBL6180151 0.77 ITGB3 (0.61) ALDH1A1MAPTITGB3ITGA2B
SCHEMBL6181293 0.77 CHRM2 (0.55) ALDH1A1MAPTGFERSMN1; SMN2PKM
SCHEMBL8473519 0.77 MAPT (0.54) ALDH1A1MAPTGFERSMN1; SMN2PKM
SCHEMBL27475914 0.77 ALDH1A1 (0.54) ALDH1A1MAPTGFERSMN1; SMN2PKM
SCHEMBL7402405 0.76 ALDH1A1 (0.53) ALDH1A1MAPTGFERSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 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
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
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 (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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 ALDH1A1 1423/4885MAPT 4881/4885ADRB2 699/4885

“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.