SCHEMBL5453020

SCHEMBL5453020

O=C(CCC1CC1)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
HTR7 P34969 1/20 0.53
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
KMT2A Q03164 2/20 0.50
PTPN1 P18031 1/20 0.50
MEN1 O00255 1/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD1 P21728 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL11395507 0.89 NPC1 (0.51) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL9247297 0.83 KMT2A (0.52) DRD2HTR2AHTR2CHTR2BSIGMAR1
Trifluoroacetic Acid SCHEMBL7734277 0.82 KMT2A (0.48) NPC1RAB9AKMT2APLOD2BCHE
SCHEMBL7020718 0.81 GSK3B (0.52) KMT2AKCNH2BCHEACHE
SCHEMBL13814798 0.81 BCHE (0.67) NPC1RAB9ASIGMAR1KMT2AMEN1
SCHEMBL5469826 0.81 DRD2 (0.73) NPC1RAB9ADRD2HTR2AHTR2C
SCHEMBL11396531 0.80 HSD11B1 (0.62) NPC1RAB9AKMT2ABCHEACHE
SCHEMBL7734278 0.80 DRD2 (0.46) NPC1RAB9ADRD2HTR2AHTR2C
SCHEMBL26584242 0.80 NPC1 (0.82) NPC1RAB9AHTR7KMT2APTPN1
SCHEMBL9250309 0.79 ACHE (0.83) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001005776-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-01-25 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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 NPC1 2994/4885RAB9A 3096/4885HTR7 22/4885

“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.