SCHEMBL6506280

SCHEMBL6506280

Cc1ccc2c3c1nc(N1CCN(c4ccc(F)cc4)CC1)n3CCCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ADORA1 P30542 2/20 0.40
THRB P10828 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
DCTPP1 Q9H773 1/20 0.38
TP53 P04637 1/20 0.38
MAOB P27338 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL6510197 0.93 MEN1 (0.40) DRD2DRD4DRD3ADORA1THRB
SCHEMBL6508348 0.73 MEN1 (0.40) MEN1KMT2ASMN1; SMN2TP53MAOB
SCHEMBL6511620 0.72 MEN1 (0.44) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6139581 0.67 PARP1 (0.32) MEN1KMT2ASMN1; SMN2TP53
SCHEMBL6139125 0.65 PARP1 (0.40) DRD4
SCHEMBL2064358 0.63 NPC1 (0.71) THRBMEN1KMT2ASMN1; SMN2TP53
SCHEMBL12799147 0.63 NPC1 (0.71) THRBMEN1KMT2ASMN1; SMN2TP53
SCHEMBL14503599 0.62 MEN1 (0.65) THRBMEN1KMT2ASMN1; SMN2TP53
SCHEMBL6631403 0.61 MAPT (0.45) DRD2MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6630480 0.61 MAPT (0.40) THRBMEN1KMT2ASMN1; SMN2TP53

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 5 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

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 DRD2 1530/4885DRD4 860/4885DRD3 856/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 DRD2 1690/4885DRD4 736/4885DRD3 1196/4885

“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.