SCHEMBL4524862

SCHEMBL4524862

COC(=O)C1(CNOCc2ccccc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SLC6A5 Q9Y345 3/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
P2RX7 Q99572 1/20 0.40
MAPT P10636 1/20 0.40
MMP1 P03956 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
EPHX2 P34913 1/20 0.38
FKBP1A P62942 1/20 0.38

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
SCHEMBL4532055 0.87 NPC1 (0.43) NPC1RAB9ASLC6A5CTSLCTSB
SCHEMBL4866845 0.87 NPC1 (0.43) NPC1RAB9ASLC6A5CTSLCTSB
SCHEMBL4866936 0.86 NPC1 (0.44) NPC1RAB9ASLC6A5CTSLCTSB
SCHEMBL18063149 0.81 TACR1 (0.43) SLC6A5CTSLCTSBCTSSMMP1
SCHEMBL4907162 0.80 TACR1 (0.47) NPC1RAB9AMAPTMMP1CYP4F2
SCHEMBL14881069 0.79 TACR1 (0.44) SLC6A5CTSLCTSBCTSSMAPT
SCHEMBL13904681 0.78 ALDH1A1 (0.46) CTSLCTSBCTSS
SCHEMBL30683842 0.78 TACR1 (0.48) NPC1RAB9AMAPTCYP4F2CYP4A11
SCHEMBL27994909 0.77 MEN1 (0.49) NPC1RAB9AMAPTCYP4F2CYP4A11
SCHEMBL4870545 0.77 NPC1 (0.41) NPC1RAB9AEPHX2FKBP1A

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-20090318445-A1 PDF INHIBITORS NORVARTIS AG (CH) 2009-12-24 US disclosed
US-20090318445-A1 PDF INHIBITORS NORVARTIS AG (CH) 2009-12-24 US disclosed
EP-1973898-A1 PDF INHIBITORS Novartis AG (CH) 2008-10-01 EP disclosed
WO-2007077186-A1 PDF INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090318445-A1 PDF INHIBITORS PDF, TIMP3, MMP2 NPC1 1906/4885RAB9A 1316/4885SLC6A5 3289/4885

“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.