SCHEMBL3445377

SCHEMBL3445377

CCN(CC)Cc1ccc(C=CC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
P2RY1 P47900 19/20 0.53
P2RY14 Q15391 2/20 0.50

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
SCHEMBL3445375 1.00 NPC1 (0.55) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL1425259 0.86 NPC1 (0.73) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL1425263 0.86 NPC1 (0.73) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL1425261 0.86 NPC1 (0.73) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL1425436 0.86 NPC1 (0.60) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL3446296 0.86 NPC1 (0.60) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL3445805 0.84 NPC1 (0.60) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL3445807 0.84 NPC1 (0.60) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL1424519 0.84 NPC1 (0.62) NPC1MAPTRAB9AP2RY1P2RY14
SCHEMBL1425097 0.84 NPC1 (0.65) NPC1MAPTRAB9AP2RY1P2RY14

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-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US claimed
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R NPC1 3584/4885MAPT 1056/4885RAB9A 2113/4885

“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.