SCHEMBL16699248

SCHEMBL16699248

O=C(O)N1CCC(c2nc3ccccc3n2-c2ccc(Oc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.73
MCHR1 Q99705 2/20 0.47
MET P08581 1/20 0.44
HPGD P15428 1/20 0.43
HTR2B P41595 1/20 0.43
TP53 P04637 1/20 0.43
HRH1 P35367 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL16699319 0.87 SCN9A (0.66) SCN9AMCHR1METTP53
SCHEMBL16699624 0.84 SCN9A (1.00) SCN9AMCHR1TP53HRH1CYP2D6
SCHEMBL16699095 0.83 SCN9A (0.73) SCN9AMCHR1METTP53HRH1
SCHEMBL16699091 0.83 SCN9A (0.73) SCN9AMCHR1METTP53HRH1
SCHEMBL16698841 0.82 SCN9A (1.00) SCN9AMCHR1METMAPT
SCHEMBL16699310 0.82 SCN9A (0.76) SCN9AMCHR1METHRH1
SCHEMBL16699577 0.81 SCN9A (1.00) SCN9AMCHR1TP53HRH1CYP2D6
SCHEMBL16699557 0.76 SCN9A (1.00) SCN9AMCHR1METTP53HRH1
SCHEMBL16699555 0.76 SCN9A (1.00) SCN9AMCHR1METTP53HRH1
SCHEMBL16707109 0.75 SCN9A (0.68) SCN9AMCHR1METTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US claimed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 US claimed
US-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2018-03-22 US disclosed
US-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 US disclosed
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 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-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 SCN9A 120/4885MCHR1 1621/4885MET 4186/4885
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 SCN9A 120/4885MCHR1 1621/4885MET 4186/4885

“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.