SCHEMBL3150435

SCHEMBL3150435

O=C(c1ccc(Br)o1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 2/20 0.56
CHRNB2 P17787 2/20 0.55
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55
CHRNA4 P43681 2/20 0.55
RAB9A P51151 5/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 4/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL3153541 0.86 TSHR (0.58) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL6035071 0.83 TSHR (0.59) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL1771402 0.81 KMT2A (0.59) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL6599669 0.81 CHRNB2 (0.61) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL27506976 0.81 TSHR (0.55) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL25062644 0.81 ALDH1A1 (0.60) ALDH1A1TSHRRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL1763285 0.80 CHRNB2 (0.60) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL2673282 0.80 TSHR (0.67) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL5320608 0.79 ALDH1A1 (0.59) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL25062484 0.79 ALDH1A1 (0.59) ALDH1A1TSHRRAB9AMEN1KMT2A

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 ALDH1A1 1125/4885TSHR 940/4885CHRNB2 366/4885
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 ALDH1A1 1125/4885TSHR 940/4885CHRNB2 366/4885

“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.