Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6000295

N.c1ccc(Cc2ccncc2)cc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.63
LTA4H P09960 1/20 0.58
CYP11B1 P15538 3/20 0.55
CYP11B2 P19099 3/20 0.55
CYP3A4 P08684 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
HIF1A Q16665 1/20 0.52
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50
LSS P48449 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
NOTUM Q6P988 1/20 0.48
S1PR1 P21453 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL432308 0.97 CALM1 (0.67) CALM1LTA4HCYP11B1CYP11B2CYP3A4
SCHEMBL9512609 0.97 CALM1 (0.67) CALM1LTA4HCYP11B1CYP11B2CYP3A4
SCHEMBL29452943 0.95 CALM1 (0.63) CALM1LTA4HCYP11B1CYP11B2CYP3A4
Bromide SCHEMBL21658864 0.95 CALM1 (0.63) CALM1LTA4HCYP11B1CYP11B2CYP3A4
Hydrochloric Acid SCHEMBL28806112 0.95 CALM1 (0.63) CALM1LTA4HCYP11B1CYP11B2CYP3A4
Diphenylmethane SCHEMBL27810624 0.86 CALM1 (0.67) CALM1LTA4HCYP11B1CYP11B2CYP3A4
SCHEMBL27680608 0.86 LTA4H (0.56) CALM1LTA4HCYP11B1CYP11B2CYP3A4
Selenium SCHEMBL10543351 0.86 LTA4H (0.56) CALM1LTA4HCYP11B1CYP11B2CYP3A4
SCHEMBL721736 0.86 CYP17A1 (0.61) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL13873567 0.83 CYP17A1 (0.65) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 US claimed
EP-1343497-A4 $g(D)?2 ,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K AND K BIOSCIENCES INC (US) 2005-01-26 EP claimed
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCES, INC. 2004-04-15 US claimed
EP-1343497-A1 $g(D)?2 ,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K and K Biosciences, Inc. (US) 2003-09-17 EP claimed
US-20020111371-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCES, INC. 2002-08-15 US claimed
WO-2002036119-A1 Δ2,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K AND K BIOSCIENCES, INC. (US) 2002-05-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C CALM1 3790/4885LTA4H 3680/4885CYP11B1 2146/4885
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C CALM1 3360/4885LTA4H 3702/4885CYP11B1 1959/4885
US-20020111371-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C CALM1 3360/4885LTA4H 3702/4885CYP11B1 1959/4885

“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.