SCHEMBL6554549

SCHEMBL6554549

Cc1cc(C(=O)NCc2cc(C#N)ccc2OCc2ccccc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MET P08581 2/20 0.43
PPARG P37231 6/20 0.42
PPARD Q03181 2/20 0.42
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PPARA Q07869 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
PTGER1 P34995 1/20 0.41

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 SCHEMBL6554810 0.99 SLC6A9 (0.45) SLC6A9MRGPRX4NPC1RAB9AMET
SCHEMBL6554651 0.91 HPGD (0.45) SLC6A9MRGPRX4NPC1RAB9AMET
SCHEMBL6555857 0.88 SLC6A9 (0.43) SLC6A9MRGPRX4NPC1RAB9AMET
SCHEMBL6554470 0.85 SMPD1 (0.43) NPC1RAB9APPARGPPARDPTGER1
Hydrochloric Acid SCHEMBL6556585 0.85 F10 (0.44) NPC1RAB9APPARGPPARDPTGER1
SCHEMBL5099764 0.84 MET (0.46) SLC6A9MRGPRX4NPC1RAB9AMET
SCHEMBL6340535 0.84 SLC6A9 (0.44) SLC6A9MRGPRX4NPC1RAB9AMET
SCHEMBL6554476 0.84 SLC6A9 (0.45) SLC6A9MRGPRX4NPC1RAB9AMET
SCHEMBL6554509 0.81 EPHX2 (0.46) MRGPRX4PPARGPPARD
SCHEMBL5093181 0.81 SLC6A9 (0.45) SLC6A9MRGPRX4NPC1RAB9AMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 SLC6A9 4643/4885MRGPRX4 2050/4885NPC1 2294/4885

“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.