SCHEMBL6208342

SCHEMBL6208342

CCCCN(C(=O)OC(C)(C)C)c1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MLYCD O95822 3/20 0.39
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2A13 Q16696 1/20 0.37
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL4838461 0.87 ALDH1A1 (0.47) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL31378320 0.84 KDM4E (0.39) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL20955433 0.83 CYP3A4 (0.44) NPC1RAB9AMAPTALDH1A1MLYCD
SCHEMBL8466175 0.83 TP53 (0.51) NPC1RAB9AMAPTALDH1A1MLYCD
SCHEMBL29143436 0.82 LTB4R2 (0.44) MAPTALDH1A1MLYCDCHRM2CHRM1
SCHEMBL6208339 0.81 MLYCD (0.39) NPC1RAB9AALDH1A1MLYCDCHRM2
SCHEMBL29742747 0.78 KDM4E (0.39) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL29143437 0.78 LMNA (0.52) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL21309865 0.77 HDAC8 (0.40) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL22042475 0.77 TRPM8 (0.45) NPC1RAB9AALDH1A1CHRM2CHRM1

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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 NPC1 1661/4885RAB9A 2595/4885KDM4E 1277/4885

“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.