SCHEMBL6605907

SCHEMBL6605907

CC(C)C(N)c1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.32
SLC6A2 P23975 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
LMNA P02545 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL28659321 0.82
SCHEMBL3602233 0.82
SCHEMBL28857777 0.82
SCHEMBL1072224 0.77
SCHEMBL8119641 0.77
SCHEMBL4433093 0.77
SCHEMBL96104 0.77
SCHEMBL7453028 0.77
SCHEMBL17002637 0.77 DPP4 (0.32) DPP4
SCHEMBL1790660 0.75 SLC6A2 (0.34) DPP4SLC6A2TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140871-A4 THROMBIN OR FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-06 EP claimed
US-20030004344-A1 Thrombin or factor Xa inhibitors LAM PATRICK Y S (US) 2003-01-02 US claimed
US-6500855-B1 NITROGEN CONTAINING AROMATIC HETEROCYCLES WITH ORTHO-SUBSTITUTED P1 GROUPS; ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-31 US claimed
US-20020115854-A1 Thrombin or factor Xa inhibitors LAM PATRICK Y S (US) 2002-08-22 US claimed
US-6403583-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US claimed
US-6369227-B1 BLOOD COAGULATION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-09 US claimed
EP-1140871-A1 THROMBIN OR FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000039108-A1 THROMBIN OR FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
CN-1240677-C Monofluoroalkyl derivatives LILLY CO ELI (US) 2006-02-08 CN disclosed
EP-1196412-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-09 EP disclosed
EP-1140871-A4 THROMBIN OR FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-06 EP disclosed
US-6716841-B2 SUCH AS 1-((1-(3-(AMINOMETHYL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)CARBONYL) -5-(2-( AMINOSULFONYL)PHENYL)-2,3-DIHYDRO-1H-INDOLE FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS; ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-06 US disclosed
CN-1454211-A Nitrogen containing heterobicycles as factor xa inhibitors BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-11-05 CN disclosed
US-6602871-B2 Anticoagulants; compounds of given formula: several types of nitrogen containing heterocycles such as perhydroindolizine, piperazine, pyrimidine BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-08-05 US disclosed
US-6407256-B1 ENZYME INHIBITORS; ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-6403583-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
CN-1349497-A Monofluoroalkyl derivatives LILLY CO ELI (US) 2002-05-15 CN disclosed
US-6369227-B1 BLOOD COAGULATION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-09 US disclosed
EP-1140871-A1 THROMBIN OR FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039108-A1 THROMBIN OR FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 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-20030004344-A1 Thrombin or factor Xa inhibitors SERPINC1, TFPI, SPINT2 DPP4 166/4885SLC6A2 4416/4885TAAR1 4613/4885
US-20020115854-A1 Thrombin or factor Xa inhibitors SERPINC1, TFPI, SPINT2 DPP4 166/4885SLC6A2 4416/4885TAAR1 4613/4885

“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.