SCHEMBL4154900

SCHEMBL4154900

Cc1cc(C(=O)N(C)C2CCCCC2)c(C)o1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
S1PR1 P21453 1/20 0.46
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
S1PR3 Q99500 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL9195894 0.85 RAB9A (0.47) HPGDTSHRNPC1RAB9AKDM4E
SCHEMBL10775556 0.84 RAB9A (0.46) HPGDTSHRNPC1RAB9AKDM4E
SCHEMBL11829409 0.83 RAB9A (0.48) HPGDTSHRNPC1RAB9ATP53
Potassium Ion SCHEMBL10775561 0.82 RAB9A (0.45) HPGDTSHRNPC1RAB9AKDM4E
SCHEMBL55842 0.81 RAB9A (0.44) HPGDTSHRNPC1RAB9ATP53
SCHEMBL11836251 0.79 RAB9A (0.45) HPGDTSHRNPC1RAB9ATP53
SCHEMBL7894733 0.78 TRPM8 (0.49) HPGDNPC1RAB9AKDM4EMAPT
SCHEMBL3461283 0.77 HPGD (0.53) HPGDTSHRNPC1RAB9AS1PR1
SCHEMBL3173668 0.75 MAPT (0.58) HPGDNPC1RAB9ATP53KDM4E
SCHEMBL54925 0.74 NPC1 (0.76) HPGDNPC1RAB9AKDM4EMAPT

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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 (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R HPGD 272/4885TSHR 244/4885NPC1 1327/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R HPGD 272/4885TSHR 244/4885NPC1 1327/4885

“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.