Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6000557

CCC(CC)(c1cccc(F)c1)c1cccc(F)c1.N

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.46
ACHE P22303 1/20 0.43
KIF11 P52732 1/20 0.42
ESR1 P03372 6/20 0.41
ESR2 Q92731 4/20 0.41
AR P10275 1/20 0.41
CYP19A1 P11511 2/20 0.38
RIPK1 Q13546 1/20 0.38
CHRM3 P20309 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37

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
SCHEMBL6000552 0.83 KIF11 (0.47) KCNN4ACHEKIF11TAAR1
SCHEMBL14395956 0.81 KCNN4 (0.44) KCNN4ACHEKIF11CYP19A1RIPK1
SCHEMBL7903555 0.81 KCNN4 (0.44) KCNN4ACHEKIF11CYP19A1RIPK1
SCHEMBL777635 0.81 NPC1 (0.44) KCNN4ACHEKIF11CYP19A1RIPK1
SCHEMBL16561969 0.79 CHRM3 (0.49) KCNN4ACHEKIF11CYP19A1RIPK1
SCHEMBL18465353 0.79 KCNN4 (0.43) KCNN4ACHEKIF11CYP19A1RIPK1
SCHEMBL30472160 0.78 KCNN4 (0.46) KCNN4ACHEKIF11CYP19A1RIPK1
SCHEMBL14388881 0.78 RIPK1 (0.42) KCNN4ACHEKIF11CYP19A1RIPK1
SCHEMBL27959370 0.76 KCNN4 (0.44) KCNN4ACHEKIF11CYP19A1RIPK1
Ethylamine SCHEMBL27485678 0.75 TAAR1 (0.52) KCNN4KIF11TAAR1

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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6017965-A TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA NPS PHARMACEUTICALS, INC. (US) 2000-01-25 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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D KCNN4 145/4885ACHE 248/4885KIF11 4680/4885

“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.