SCHEMBL704664

SCHEMBL704664

NC(=O)C1(COCc2ccccc2)CCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.45
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PARP10 Q53GL7 1/20 0.38
TSHR P16473 2/20 0.38
GRM5 P41594 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
KMT2A Q03164 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
SCHEMBL706214 0.89 TACR1 (0.47) TACR1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL15026540 0.89 TACR1 (0.47) TACR1SLC6A4SLC6A2SLC6A3HRH3
Hydrochloric Acid SCHEMBL19614457 0.88 TACR1 (0.46) TACR1SLC6A4SLC6A2SLC6A3HRH3
Hydrochloric Acid SCHEMBL19614466 0.88 TACR1 (0.46) TACR1SLC6A4SLC6A2SLC6A3HRH3
Hydrochloric Acid SCHEMBL19614459 0.88 TACR1 (0.46) TACR1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL15007994 0.85 TACR1 (0.44) TACR1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL3601663 0.85 TACR1 (0.44) TACR1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL19627472 0.85 TACR1 (0.44) TACR1SLC6A4SLC6A2SLC6A3HRH3
Hydrochloric Acid SCHEMBL28519089 0.84 TACR1 (0.43) TACR1SLC6A4SLC6A2SLC6A3HRH3
Hydrochloric Acid SCHEMBL28271740 0.84 TACR1 (0.43) TACR1SLC6A4SLC6A2SLC6A3HRH3

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
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 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-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 TACR1 2464/4885SLC6A4 2500/4885SLC6A2 3590/4885

“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.