SCHEMBL3199540

SCHEMBL3199540

CCn1c(C2CCCC(NC(=O)c3ccc4c(c3)OCCO4)C2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ACSS2 Q9NR19 7/20 0.48
ACHE P22303 1/20 0.45
CHRNA7 P36544 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL13490310 1.00 NPC1 (0.50) NPC1RAB9AACSS2ACHECHRNA7
SCHEMBL3223316 0.91 NPC1 (0.49) NPC1RAB9AACSS2ACHECHRNA7
SCHEMBL14192263 0.91 NPC1 (0.49) NPC1RAB9AACSS2ACHECHRNA7
SCHEMBL13490428 0.91 NPC1 (0.49) NPC1RAB9AACSS2ACHECHRNA7
SCHEMBL3213313 0.90 NPC1 (0.47) NPC1RAB9AACSS2ACHECHRNA7
SCHEMBL13490317 0.90 NPC1 (0.47) NPC1RAB9AACSS2ACHECHRNA7
SCHEMBL3220241 0.90 NPC1 (0.47) NPC1RAB9AACSS2ACHECHRNA7
SCHEMBL13490328 0.89 NPC1 (0.53) NPC1RAB9AACHECHRNA7TP53
SCHEMBL14192807 0.89 NPC1 (0.53) NPC1RAB9AACHECHRNA7TP53
SCHEMBL3219354 0.89 NPC1 (0.53) NPC1RAB9AACHECHRNA7TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
EP-2121626-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2009-11-25 EP disclosed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 WO 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 (1 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 NPC1 3250/4885RAB9A 1662/4885ACSS2 1011/4885

“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.