Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5339394

N.c1ccc(COC2CCCC2)cc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.54
OPRL1 P41146 2/20 0.54
DPP4 P27487 1/20 0.54
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
SIGMAR1 Q99720 2/20 0.51
CARM1 Q86X55 2/20 0.51
PRMT6 Q96LA8 2/20 0.51
TMEM97 Q5BJF2 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
TSHR P16473 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL355570 0.98 OPRM1 (0.56) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL9131464 0.96 CTSL (0.56) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL61112 0.96 CTSL (0.56) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL3660170 0.94 OPRM1 (0.56) OPRM1OPRL1DPP4CTSLCTSB
Phenol SCHEMBL28176960 0.90 OPRM1 (0.50) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL6469380 0.89 OPRM1 (0.59) OPRM1OPRL1DPP4CTSLCTSB
Phenol SCHEMBL28176920 0.89 CTSL (0.50) OPRM1OPRL1DPP4CTSLCTSB
Methyl Alcohol SCHEMBL10438266 0.88 OPRM1 (0.55) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL24752799 0.87 DPP4 (0.51) OPRM1OPRL1DPP4CTSLCTSB
SCHEMBL29064882 0.87 ALDH1A1 (0.50) OPRM1OPRL1DPP4CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300923-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-11-27 US disclosed
US-7271157-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2007-09-18 US disclosed
EP-1789431-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2007-05-30 EP disclosed
EP-1768991-A1 PROCESS FOR THE PREPARATION OF A1-ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2007-04-04 EP disclosed
US-20060052330-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2006-03-09 US disclosed
WO-2006026651-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2006-03-09 WO disclosed
WO-2006017052-A1 PROCESS FOR THE PREPARATION OF A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-02-16 WO disclosed
US-20060009417-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-01-12 US disclosed
US-6214608-B1 ACYLATING PRIMARY AND SECONDARY OXYGEN OR NITROGEN SUBSTITUTED AMINES BY REACTING AMINE WITH ESTER IN PRESENCE OF LIPASE BASF AKTIENGESELLSCHAFT (DE) 2001-04-10 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 (2 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-20060052330-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 OPRM1 224/4885OPRL1 219/4885DPP4 2364/4885
US-20060009417-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 OPRM1 197/4885OPRL1 148/4885DPP4 3043/4885

“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.