SCHEMBL4805573

SCHEMBL4805573

CCOC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
ELANE P08246 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
PDE4B Q07343 1/20 0.41
GABRA2 P47869 3/20 0.39
GABRB2 P47870 1/20 0.39
MAOB P27338 1/20 0.39
OPRD1 P41143 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39

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
SCHEMBL3496747 0.90 CYP11B1 (0.42) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL2881519 0.88 NPC1 (0.46) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL4803894 0.85 PDE4B (0.41) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL4805529 0.85 NPC1 (0.41) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL4801391 0.84 HDAC6 (0.46) RAB9AKDM4EALDH1A1MAOBL3MBTL1
SCHEMBL3493411 0.83 MAPT (0.39) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL4803953 0.82 MAPT (0.39) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL3495861 0.82 PDE4B (0.39) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL3495858 0.82 PDE4B (0.39) NPC1LMNARAB9AMAPTKDM4E
SCHEMBL14533491 0.82 L3MBTL1 (0.43) LMNAMAPTKDM4EPKMALDH1A1

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-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP NPC1 397/4885LMNA 3259/4885RAB9A 3196/4885

“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.