SCHEMBL9970058

SCHEMBL9970058

CN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.48
GID4 Q8IVV7 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
MCHR1 Q99705 1/20 0.40
SSTR5 P35346 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OGA O60502 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL2067521 0.95 CXCR3 (0.44) CXCR3GID4TRPV1MCHR1SSTR5
SCHEMBL9970016 0.88 FOXO1 (0.45) CXCR3
Hydrochloric Acid SCHEMBL2068229 0.87 FOXO1 (0.44) CXCR3
SCHEMBL18536465 0.85 CXCR3 (0.40) CXCR3MCHR1SSTR5
SCHEMBL9970051 0.84 GID4 (0.54) GID4SIGMAR1
SCHEMBL2068169 0.83 FOXO1 (0.51)
SCHEMBL13962624 0.83 CXCR3 (0.44) CXCR3GID4TRPV1SSTR5
Hydrochloric Acid SCHEMBL2067098 0.82 FOXO1 (0.51)
SCHEMBL9970065 0.82 SIGMAR1 (0.51) GID4SIGMAR1
SCHEMBL9970037 0.80 NPC1 (0.48)

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 CXCR3 1262/4885GID4 3978/4885TRPV1 4129/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 CXCR3 1262/4885GID4 3978/4885TRPV1 4129/4885

“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.