SCHEMBL207806

SCHEMBL207806

[CH]1CCN(c2ccncc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.67
ADRB2 P07550 1/20 0.59
NCF1 P14598 1/20 0.59
PLD1 Q13393 1/20 0.59
EED O75530 1/20 0.46
CYP3A4 P08684 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 4/20 0.43
TSHR P16473 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 2/20 0.43
HIF1A Q16665 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.40
DHFR P00374 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL4065651 0.86 CHKA (0.56) CHKAADRB2NCF1PLD1EED
SCHEMBL28112415 0.85 CHKA (0.80) CHKAADRB2NCF1PLD1EED
SCHEMBL19468905 0.80 CHKA (0.90) CHKAADRB2NCF1PLD1EED
SCHEMBL49273 0.80 CHKA (1.00) CHKAADRB2NCF1PLD1EED
SCHEMBL8776254 0.80 SMN1; SMN2 (0.51) CHKAADRB2NCF1PLD1CYP3A4
SCHEMBL48987 0.78 CHKA (0.95) CHKAADRB2NCF1PLD1EED
SCHEMBL2205366 0.78 CHKA (0.95) CHKAADRB2NCF1PLD1EED
SCHEMBL30575196 0.78 CHKA (0.95) CHKAADRB2NCF1PLD1EED
Iodide SCHEMBL14249446 0.78 CHKA (0.95) CHKAADRB2NCF1PLD1EED
SCHEMBL10648775 0.78 CHKA (0.95) CHKAADRB2NCF1PLD1EED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP claimed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP claimed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US claimed
EP-1311501-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-11-02 EP claimed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP claimed
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP claimed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP claimed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US claimed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US claimed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP claimed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 EP claimed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO claimed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
JP-H08509967-A 1996-10-22 JP claimed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP claimed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 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 (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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 CHKA 3836/4885ADRB2 2017/4885NCF1 202/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CHKA 812/4885ADRB2 308/4885NCF1 3274/4885

“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.