SCHEMBL3157121

SCHEMBL3157121

O=C(c1ccc(Br)s1)N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.77
POLB P06746 1/20 0.73
HTT P42858 2/20 0.61
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APOBEC3G Q9HC16 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL3184163 0.84 HPGD (1.00) HPGDPOLBHTTRECQLHSD17B10
SCHEMBL3204586 0.84 HPGD (0.93) HPGDPOLBHTTRECQLHSD17B10
SCHEMBL3196789 0.83 HPGD (0.96) HPGDPOLBHTTRECQLHSD17B10
SCHEMBL5721928 0.82 HPGD (0.81) HPGDPOLBHTTNPC1RAB9A
SCHEMBL2638071 0.81 HPGD (0.86) HPGDPOLBHTTNPC1RAB9A
SCHEMBL4111861 0.80 HPGD (0.77) HPGDPOLBHTTHSD17B10NPC1
SCHEMBL27506961 0.80 HPGD (0.73) HPGDPOLBHTTRECQLHSD17B10
SCHEMBL4160220 0.80 HPGD (0.77) HPGDHTTNPC1RAB9AL3MBTL1
SCHEMBL6221064 0.79 HPGD (0.75) HPGDPOLBHTTNPC1RAB9A
SCHEMBL18325841 0.78 HPGD (0.69) HPGDPOLBHTTRECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284303-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-15 US disclosed
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2013-12-05 US disclosed
US-8524757-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV (BE) 2013-09-03 US disclosed
EP-2081572-B1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2010-03-03 EP disclosed
CN-101621998-A Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV 2010-01-06 CN disclosed
US-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 US disclosed
EP-2081572-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-29 EP disclosed
WO-2008003665-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2008-01-10 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-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 HPGD 1181/4885POLB 4202/4885HTT 3726/4885
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 HPGD 1181/4885POLB 4202/4885HTT 3726/4885

“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.