SCHEMBL5755786

SCHEMBL5755786

CC(C)N1CCC(CNc2ncccc2C(=O)Nc2cccc(Cl)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.57
▸ F10 P00742 1/20 0.46
▸ CNR2 P34972 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HTR4 Q13639 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GRM4 Q14833 2/20 0.44
▸ MALT1 Q9UDY8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ ACKR3 P25106 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
Hydrochloric Acid SCHEMBL5760682 0.99 KDR (0.56) KDRF10CNR2NPC1RAB9A
Hydrochloric Acid SCHEMBL6774963 0.83 F10 (0.56) KDRF10NPC1RAB9AHTR4
Hydrochloric Acid SCHEMBL6780186 0.83 F10 (0.56) KDRF10NPC1RAB9AHTR4
SCHEMBL18070899 0.82 KDR (0.63) KDRNPC1RAB9AGRM4HDAC6
SCHEMBL16007576 0.77 KDR (0.51) KDRNPC1RAB9AGRM4MALT1
SCHEMBL16007848 0.76 KDR (0.49) KDRF10NPC1RAB9AGRM4
SCHEMBL16007186 0.76 KDR (0.54) KDRNPC1RAB9AGRM4MALT1
SCHEMBL5759686 0.75 F10 (0.58) F10HTR4KDM4EMEN1KMT2A
SCHEMBL16017722 0.75 NPC1 (0.46) KDRF10NPC1RAB9AGRM4
SCHEMBL16017725 0.75 KDR (0.51) KDRNPC1RAB9AGRM4MALT1

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 10 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

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 KDR 1677/4885F10 13/4885CNR2 1650/4885
US-20030199504-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDR 1677/4885F10 13/4885CNR2 1650/4885
US-20030212069-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDR 1677/4885F10 13/4885CNR2 1650/4885
US-20030199505-A1 Antithrombotic amides F11, TFPI, SERPINC1 KDR 1677/4885F10 13/4885CNR2 1650/4885

“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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