SCHEMBL3859822

SCHEMBL3859822

CCCC[C@H](CO)C(=O)NOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CNR2 P34972 1/20 0.45
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
PPARG P37231 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 10/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
BIRC2 Q13490 1/20 0.43
MMP1 P03956 4/20 0.43

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
SCHEMBL13681826 1.00 NPC1 (0.47) NPC1RAB9ACTSLCTSSCNR2
SCHEMBL131149 0.96 BIRC2 (0.47) NPC1RAB9ACNR2MMP2BIRC2
SCHEMBL130361 0.96 BIRC2 (0.47) NPC1RAB9ACNR2MMP2BIRC2
SCHEMBL13681831 0.85 CTSL (0.41) NPC1RAB9ACTSLCTSSCNR2
SCHEMBL13681824 0.85 CTSL (0.41) NPC1RAB9ACTSLCTSSCNR2
SCHEMBL16898303 0.85 NPC1 (0.50) NPC1RAB9ACNR2
SCHEMBL16898305 0.85 NPC1 (0.50) NPC1RAB9ACNR2
SCHEMBL4392476 0.83 NPC1 (0.43) NPC1RAB9ACA1CA2CA9
SCHEMBL4392472 0.83 NPC1 (0.43) NPC1RAB9ACA1CA2CA9
SCHEMBL3944730 0.82 NPC1 (0.43) NPC1RAB9ACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589216-B2 Process for preparing N-hydroxyformamido-propyl pyrrolidin compounds and intermediates NOVARTIS AG (CH) 2009-09-15 US disclosed
US-7589216-B2 Process for preparing N-hydroxyformamido-propyl pyrrolidin compounds and intermediates NOVARTIS AG (CH) 2009-09-15 US disclosed
US-7589216-B2 Process for preparing N-hydroxyformamido-propyl pyrrolidin compounds and intermediates NOVARTIS AG (CH) 2009-09-15 US disclosed
EP-1542968-B1 PROCESS FOR PREPARING INTERMEDIATES NOVARTIS AG (CH) 2008-12-17 EP disclosed
EP-1542968-B1 PROCESS FOR PREPARING INTERMEDIATES NOVARTIS AG (CH) 2008-12-17 EP disclosed
US-20050261504-A1 Process for preparing intermediates NOVARTIS AG (CH) 2005-11-24 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-20050261504-A1 Process for preparing intermediates DHPS, PDF, HPN NPC1 3440/4885RAB9A 3733/4885CTSL 584/4885

“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.