SCHEMBL9970048

SCHEMBL9970048

CN1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cn2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
FPR1 P21462 2/20 0.43
FPR2 P25090 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
GAA P10253 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
Hydrochloric Acid SCHEMBL2069161 0.99 EPHX2 (0.50) EPHX2FPR1FPR2NPC1RAB9A
SCHEMBL2068031 0.89 MTOR (0.52) EPHX2KCNH2
SCHEMBL18536615 0.89 MTOR (0.52) EPHX2KCNH2
Hydrochloric Acid SCHEMBL2067983 0.88 MTOR (0.52) EPHX2KCNH2
SCHEMBL13962125 0.85 EPHX2 (0.49) EPHX2FPR2NPC1RAB9A
SCHEMBL18536590 0.85 EPHX2 (0.49) EPHX2FPR2NPC1RAB9A
SCHEMBL2067558 0.85 EPHX2 (0.49) EPHX2FPR2NPC1RAB9A
SCHEMBL9970015 0.85 USP30 (0.43) NPC1RAB9AKCNH2
Hydrochloric Acid SCHEMBL2068908 0.84 EPHX2 (0.48) EPHX2FPR2NPC1RAB9A
Hydrochloric Acid SCHEMBL2068136 0.84 USP30 (0.42) NPC1RAB9AKCNH2

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-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US 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-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-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 4587/4885FPR1 3403/4885FPR2 4184/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885FPR1 3403/4885FPR2 4184/4885

“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.