SCHEMBL6508880

SCHEMBL6508880

O=C1CCn2c(N3CCC(N4CCCCC4)CC3)nc3cccc1c32

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
HRH3 Q9Y5N1 10/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MBTD1 Q05BQ5 1/20 0.39
OPRK1 P41145 4/20 0.38
OPRM1 P35372 3/20 0.38
OGFRL1 Q5TC84 3/20 0.38
OPRD1 P41143 2/20 0.38
PARP1 P09874 1/20 0.37
CYP2D6 P10635 1/20 0.37
HRH1 P35367 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL6139331 0.84 PARP1 (0.55) PARP1
SCHEMBL7257136 0.84 OPRM1 (0.37) OPRK1OPRM1OGFRL1OPRD1PARP1
SCHEMBL6633308 0.81 HRH1 (0.43) PARP1CYP2D6HRH1PDCD1CD274
SCHEMBL6630822 0.80 PARP1 (0.34) L3MBTL3L3MBTL1PARP1CYP2D6HRH1
SCHEMBL7257413 0.80 PARP1 (0.36) PARP1
SCHEMBL7257414 0.80 KCNH2 (0.39) PARP1
SCHEMBL7257145 0.80 KCNH2 (0.37) PARP1
Hydrochloric Acid SCHEMBL6508148 0.79 PARP1 (0.36) L3MBTL3L3MBTL1PARP1
SCHEMBL6630805 0.79 PARP1 (0.43) PARP1
SCHEMBL6631361 0.79 HDAC6 (0.46) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP claimed
US-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-02-10 US disclosed
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
US-6794382-B2 6-OXO-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINE DERIVATIVES AS INHIBITORS OF ADP-RIBOSYLTRANSFERASE; CARDIOVASCULAR, IMMUNOLOGICAL, RESPIRATORY SYSTEM, AND NEURODEGENERATIVE DISORDER TREATMENT SANOFI-SYNTHELABO (FR) 2004-09-21 US disclosed
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-10-30 US disclosed
EP-1309594-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2003-05-14 EP disclosed
WO-2002012239-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-02-14 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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CYP3A7, HDAC7 CCR4 326/4885HRH3 13/4885L3MBTL3 1843/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 CCR4 123/4885HRH3 6/4885L3MBTL3 2129/4885

“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.