SCHEMBL5758058

SCHEMBL5758058

O=C(Nc1ccccn1)c1cc(Cl)ccc1NCC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CHRM1 P11229 10/20 0.49
▸ CHRM3 P20309 3/20 0.48
▸ CHRM2 P08172 2/20 0.48
▸ CHRM4 P08173 2/20 0.48
▸ CHRM5 P08912 1/20 0.48
▸ CHEK1 O14757 1/20 0.46
▸ F10 P00742 3/20 0.45
▸ GRIK1 P39086 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL6106818 0.88 F10 (0.58) F10
SCHEMBL6107653 0.84 F10 (0.52) CHRM1CHEK1F10
SCHEMBL6106827 0.84 F10 (0.52) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5759686 0.84 F10 (0.58) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL6107029 0.82 F10 (0.55) ALOX15CHEK1F10
SCHEMBL6106785 0.80 F10 (0.52) TSHRCHRM1CHRM3CHRM2CHEK1
SCHEMBL6107921 0.80 F10 (0.52) ALOX15TSHRCHRM1CHEK1F10
SCHEMBL5758733 0.80 KDM4E (0.48) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL7381197 0.80 KCNMA1 (0.52) KCNMA1KDM4EGAAHPGDALOX15
SCHEMBL6107299 0.78 F10 (0.51) CHEK1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140881-B1 ANTITHROMBOTIC AMIDES LILLY CO ELI (US) 2006-05-17 — — EP disclosed
US-6780878-B2 ANTICOAGULANTS; CARDIOVASACULAR DISORDERS ELI LILLY AND COMPANY 2004-08-24 — — US disclosed
US-6716839-B2 INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY 2004-04-06 — — US disclosed
US-6716855-B2 INHIBITOR OF FACTOR XA; N1-(BENZOYL)-N2-(1-(4-PYRIDYL)PIPERIDIN-4-YL-METHYL)-1,2-BENZENDIAMINE HIGH BIOAVAILABILITY ELI LILLY AND COMPANY 2004-04-06 — — US disclosed
US-6710057-B2 INHIBITORS OF FACTOR XA, AS ANTICOAGULANTS FOR PROPHYLAXIS AND TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2004-03-23 — — US disclosed
US-20030212069-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-11-13 — — US disclosed
US-20030199504-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 — — US disclosed
US-20030199505-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-23 — — US disclosed
US-20030191153-A1 Antithrombotic amides ARGENTUM PHARMACEUTICALS LLC 2003-10-09 — — US disclosed
US-6610704-B1 Inhibit factor Xa ELI LILLY AND COMPANY 2003-08-26 — — US disclosed
EP-1140881-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039111-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND 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 (4 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-20030191153-A1 Antithrombotic amides F11, TFPI, SERPINC1 KCNMA1 1137/4885KDM4E 2930/4885GAA 1577/4885
US-20030199504-A1 Antithrombotic amides F11, TFPI, SERPINC1 KCNMA1 1137/4885KDM4E 2930/4885GAA 1577/4885
US-20030212069-A1 Antithrombotic amides F11, TFPI, SERPINC1 KCNMA1 1137/4885KDM4E 2930/4885GAA 1577/4885
US-20030199505-A1 Antithrombotic amides F11, TFPI, SERPINC1 KCNMA1 1137/4885KDM4E 2930/4885GAA 1577/4885

“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.

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