SCHEMBL2103156

SCHEMBL2103156

c1cc(N2CC[N]CC2)cnn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.39
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
DHFR P00374 1/20 0.31
AOC3 Q16853 1/20 0.31
EED O75530 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL11922650 0.83 CHKA (0.58) CHKAADRB2NCF1PLD1CHRNB2
SCHEMBL30837612 0.83 CHKA (0.58) CHKAADRB2NCF1PLD1CHRNB2
SCHEMBL30750948 0.83 CHKA (0.52) CHKAADRB2NCF1PLD1CHRNB2
SCHEMBL18136307 0.81 CHKA (0.56) CHKACHRNB2CHRNA4LMNAMAPT
SCHEMBL9557411 0.78 CHKA (0.38) CHKAADRB2NCF1PLD1CHRNB2
SCHEMBL194631 0.78 PLD1 (0.62) ADRB2NCF1PLD1CHRNB2CHRNA4
SCHEMBL18136305 0.78 LMNA (0.50) CHKALMNAMAPT
SCHEMBL9557417 0.78 HRH4 (0.47) MAPT
Hydrochloric Acid SCHEMBL20424251 0.76 PLD1 (0.60) ADRB2NCF1PLD1CHRNB2CHRNA4
SCHEMBL16685011 0.75 HRH3 (0.44) CHKAMAPT

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 CHKA 1941/4885ADRB2 4042/4885NCF1 1002/4885

“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.