SCHEMBL2102567

SCHEMBL2102567

c1cnnc(N2CC[N]CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.47
TRPV1 Q8NER1 2/20 0.42
RIPK1 Q13546 1/20 0.39
NAMPT P43490 2/20 0.39
PLD1 Q13393 1/20 0.35
AOC3 Q16853 1/20 0.35
NPY1R P25929 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
HTR4 Q13639 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
BPTF Q12830 1/20 0.33

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
SCHEMBL12607645 0.83 SLC6A7 (0.49) SLC6A7TRPV1RIPK1NAMPTMAPT
SCHEMBL31005942 0.83 SLC6A7 (0.49) SLC6A7TRPV1RIPK1NAMPTMAPT
SCHEMBL1834829 0.82 CYP1A2 (0.50) SLC6A7TRPV1RIPK1
SCHEMBL2001725 0.80 SLC6A7 (0.47) SLC6A7TRPV1RIPK1NAMPTPLD1
SCHEMBL303641 0.78 PLD1 (0.59) SLC6A7PLD1BPTF
SCHEMBL9557855 0.78 SLC6A7 (0.52) SLC6A7TRPV1RIPK1NAMPTPLD1
SCHEMBL229138 0.78 MEN1 (0.50) SLC6A7MEN1MAPTKMT2ANPSR1
SCHEMBL29999093 0.78 PLD1 (0.59) SLC6A7PLD1BPTF
SCHEMBL9557856 0.78 HTR3A (0.53) SLC6A7TRPV1
Hydrochloric Acid SCHEMBL23123869 0.77 PLD1 (0.58) SLC6A7PLD1BPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US disclosed
EP-1866276-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP disclosed
EP-1819667-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-22 EP disclosed
WO-2006102423-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 WO disclosed
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB SLC6A7 989/4885TRPV1 1367/4885RIPK1 2315/4885

“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.