SCHEMBL5453640

SCHEMBL5453640

N[C@@H](CC1CC1)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
HTR2A P28223 1/20 0.38
GCK P35557 1/20 0.38
DPEP1 P16444 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC18A3 Q16572 1/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL17892197 0.92 GCK (0.45) DPP4HTR2AGCKDPEP1POLB
SCHEMBL5463403 0.80 SLC6A4 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL6542877 0.80 SLC6A2 (0.39) DPP4SLC6A2SLC6A4SLC6A3
SCHEMBL5453564 0.80 METAP2 (0.38) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL5455820 0.80 SLC6A2 (0.39) DPP4SLC6A2SLC6A4SLC6A3
SCHEMBL3061093 0.79 SCN4A (0.44) DPP4HTR2A
SCHEMBL6854233 0.79 SCN4A (0.44) DPP4HTR2A
SCHEMBL5455701 0.79 SCN4A (0.44) DPP4HTR2A
SCHEMBL20289744 0.77 TSHR (0.41) POLBSLC6A4
Hydrochloric Acid SCHEMBL17764298 0.77 IDO1 (0.42) HTR2ASLC18A3MAOA

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-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
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 US 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 DPP4 933/4885HTR2A 49/4885GCK 1373/4885

“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.