SCHEMBL16699577

SCHEMBL16699577

CCN(CC)C(=O)CN1CCC(c2nc3ccccc3n2-c2ccc(Oc3ccc(F)cc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 1.00
HRH1 P35367 5/20 0.59
CYP2D6 P10635 3/20 0.59
MCHR1 Q99705 6/20 0.49
KCNH2 Q12809 1/20 0.48
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL16699624 0.87 SCN9A (1.00) SCN9AHRH1CYP2D6MCHR1KCNH2
SCHEMBL16699248 0.81 SCN9A (0.73) SCN9AHRH1CYP2D6MCHR1TP53
SCHEMBL16699319 0.78 SCN9A (0.66) SCN9AMCHR1TP53MEN1KMT2A
SCHEMBL16698841 0.75 SCN9A (1.00) SCN9AMCHR1POLB
SCHEMBL16699310 0.75 SCN9A (0.76) SCN9AHRH1MCHR1KCNH2
SCHEMBL16699095 0.74 SCN9A (0.73) SCN9AHRH1CYP2D6MCHR1KCNH2
SCHEMBL16699091 0.74 SCN9A (0.73) SCN9AHRH1CYP2D6MCHR1KCNH2
SCHEMBL16699555 0.73 SCN9A (1.00) SCN9AHRH1CYP2D6MCHR1KCNH2
SCHEMBL16699557 0.73 SCN9A (1.00) SCN9AHRH1CYP2D6MCHR1KCNH2
SCHEMBL16707109 0.73 SCN9A (0.68) SCN9AMCHR1TP53

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 14 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-9975858-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-05-22 US disclosed
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-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2018-03-22 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-9828348-B2 Benzimidazole derivatives and use thereof PURDUE PHARMA L.P. (US) 2017-11-28 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
US-20150133500-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-14 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 120/4885HRH1 815/4885CYP2D6 486/4885
US-20180079726-A1 BENZIMIDAZOLE DERIVATIVES AND USE THEREOF TRPV1, TRPV4, KCNA4 SCN9A 120/4885HRH1 815/4885CYP2D6 486/4885

“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.