SCHEMBL3205361

SCHEMBL3205361

Cc1cccc(C[N+]2(C)CC3C(CNC(=O)Cc4cccc(C5CCCC5)c4O)C3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
NR1H4 Q96RI1 8/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3220496 0.91 NPC1 (0.42) NPC1NR1H4TP53RAB9AMEN1
SCHEMBL3212388 0.83 NPC1 (0.39) NPC1RAB9AHPGD
SCHEMBL3205352 0.71 CHRM2 (0.54) NPC1
SCHEMBL3224062 0.70 NAAA (0.34) POLBALDH1A1
SCHEMBL3616012 0.70 FNTA (0.34) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL4618127 0.67 CDK5 (0.34)
SCHEMBL4620320 0.66 ACKR3 (0.35) NPC1
SCHEMBL1998542 0.64 PTGDR2 (0.47) NR1H4
SCHEMBL27892012 0.64 PTGDR2 (0.40) MEN1KMT2AKDM4E
SCHEMBL4969723 0.63 PTGDR2 (0.49) NR1H4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US claimed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP disclosed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 NPC1 1541/4885NR1H4 47/4885TP53 3146/4885

“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.