SCHEMBL3621672

SCHEMBL3621672

[CH2]N(C)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.41
ALOX5 P09917 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
CYP1A2 P05177 1/20 0.37
DAO P14920 1/20 0.37
ACHE P22303 1/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CSF1R P07333 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
SCHEMBL2076708 0.92
SCHEMBL4525098 0.86
SCHEMBL11831133 0.78 ADRA1B (0.44) ADRA1BALOX5SIGMAR1CYP1A2DAO
SCHEMBL14519375 0.78 SIGMAR1 (0.48) ADRA1BALOX5SIGMAR1CYP1A2DAO
SCHEMBL4713746 0.78 SIGMAR1 (0.48) ADRA1BALOX5SIGMAR1CYP1A2DAO
SCHEMBL1639746 0.78 SIGMAR1 (0.48) ADRA1BALOX5SIGMAR1CYP1A2DAO
SCHEMBL3819958 0.78 SIGMAR1 (0.48) ADRA1BALOX5SIGMAR1CYP1A2DAO
SCHEMBL14519376 0.78 SIGMAR1 (0.48) ADRA1BALOX5SIGMAR1CYP1A2DAO
Ammonia Solution, Strong SCHEMBL16338366 0.76 SIGMAR1 (0.46) ADRA1BALOX5SIGMAR1CYP1A2DAO
SCHEMBL1778412 0.76 ADRA1B (0.42) ADRA1BALOX5SIGMAR1CYP1A2DAO

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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS ADRA1B 3660/4885ALOX5 1472/4885SIGMAR1 4724/4885

“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.