SCHEMBL2069264

SCHEMBL2069264

CN1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.52
EPHX1 P07099 2/20 0.52
HTR2B P41595 1/20 0.49

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
Hydrochloric Acid SCHEMBL2067257 0.99 EPHX2 (0.52) EPHX2EPHX1HTR2B
SCHEMBL2067968 0.90 SMN1; SMN2 (0.59) EPHX2EPHX1HTR2B
SCHEMBL2068031 0.89 MTOR (0.52) EPHX2
Hydrochloric Acid SCHEMBL2066855 0.89 SMN1; SMN2 (0.58) EPHX2EPHX1HTR2B
SCHEMBL18536615 0.89 MTOR (0.52) EPHX2
Hydrochloric Acid SCHEMBL2067983 0.88 MTOR (0.52) EPHX2
SCHEMBL9970010 0.88 HTR2B (0.51) HTR2B
SCHEMBL18536579 0.88 NPC1 (0.47) EPHX2
SCHEMBL2068332 0.88 NPC1 (0.47) EPHX2
Hydrochloric Acid SCHEMBL2067434 0.87 NPC1 (0.46) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
EP-2170860-A2 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-04-07 EP disclosed
WO-2009004427-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2009-01-08 WO disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885EPHX1 4079/4885HTR2B 3323/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885EPHX1 4079/4885HTR2B 3323/4885

“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.