SCHEMBL6035877

SCHEMBL6035877

O=C(CCCCCNCCc1ccccc1Cl)c1cc2c3c(c1)CC(=O)N3CCC2

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
TTR P02766 1/20 0.55
ACHE P22303 3/20 0.49
TDP1 Q9NUW8 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 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 SCHEMBL4860319 0.99 NPC1 (0.54) NPC1TTRACHETDP1RAD52
SCHEMBL4851764 0.99 NPC1 (0.56) NPC1TTRACHETDP1RAD52
Hydrochloric Acid SCHEMBL4853072 0.98 NPC1 (0.55) NPC1TTRACHETDP1RAD52
Bromide SCHEMBL4862987 0.98 NPC1 (0.55) NPC1TTRACHETDP1RAD52
Sulfuric Acid SCHEMBL4858850 0.96 NPC1 (0.53) NPC1TTRACHETDP1RAD52
Oxalic Acid SCHEMBL4860550 0.96 NPC1 (0.53) NPC1TTRACHETDP1RAD52
Succinic Acid SCHEMBL6633733 0.96 NPC1 (0.53) NPC1TTRACHETDP1RAD52
SCHEMBL13987339 0.95 ACHE (0.50) NPC1TTRACHE
Hydrochloric Acid SCHEMBL4851461 0.95 ACHE (0.49) NPC1TTRACHE
SCHEMBL13987325 0.94 ACHE (0.51) NPC1TTRACHE

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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 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 (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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NPC1 1160/4885TTR 3069/4885ACHE 1/4885

“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.