SCHEMBL6504752

SCHEMBL6504752

NC(=O)C1(c2ccccc2)CCN(c2nc3cccc4c3n2CCC4=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.39
OPRL1 P41146 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HSD11B1 P28845 2/20 0.38
HTR7 P34969 1/20 0.35
OPRD1 P41143 3/20 0.34
KCNH2 Q12809 2/20 0.34
PARP1 P09874 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KMT2A Q03164 2/20 0.33
TET3 O43151 1/20 0.33
FBXL19 Q6PCT2 1/20 0.33
CXXC5 Q7LFL8 1/20 0.33
TET1 Q8NFU7 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
CXXC4 Q9H2H0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL27572635 0.85 ALDH1A1 (0.39) CNR1CNR2OPRD1KCNH2PARP1
SCHEMBL6629960 0.85 PARP1 (0.36) CNR1CNR2OPRD1KCNH2PARP1
Hydrochloric Acid SCHEMBL6507301 0.84 PARP1 (0.35) CNR1CNR2OPRD1KCNH2PARP1
SCHEMBL7262771 0.78 AVPR1A (0.43) OPRL1OPRD1PARP1
SCHEMBL6632841 0.75 MEN1 (0.44) CNR2PARP1KMT2AALDH1A1MAPT
SCHEMBL7257136 0.74 OPRM1 (0.37) OPRD1KCNH2PARP1
SCHEMBL6630805 0.74 PARP1 (0.43) HTR7PARP1ALDH1A1
Hydrochloric Acid SCHEMBL6502264 0.74 MEN1 (0.43) CNR2PARP1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6510200 0.73 PARP1 (0.42) HTR7PARP1ALDH1A1
SCHEMBL6509219 0.73 GAA (0.41) PARP1KMT2AALDH1A1LMNAMAPT

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 9 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
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP claimed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 WO 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 MLYCD 2892/4885OPRL1 741/4885CNR1 20/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 MLYCD 2393/4885OPRL1 677/4885CNR1 21/4885

“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.