Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6402123

CC(C)C=C(C#N)CC(=O)OC(C)(C)C.N

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.36
CTSS P25774 6/20 0.36
CYP2D6 P10635 1/20 0.35
CTSL P07711 3/20 0.35
CTSB P07858 2/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
APLNR P35414 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
Ammonia Solution, Strong SCHEMBL6402119 1.00 CTSK (0.36) CTSKCTSSCYP2D6CTSLCTSB
SCHEMBL5364063 0.81 MGAM (0.37)
SCHEMBL5364066 0.81 MGAM (0.37)
SCHEMBL15698708 0.77 MGAM (0.47)
SCHEMBL4145834 0.73 GRIK1 (0.32)
SCHEMBL4145829 0.73 GRIK1 (0.32)
SCHEMBL13851870 0.73 GRIK1 (0.32)
SCHEMBL14349108 0.71 GRIK1 (0.43) CTSKCTSSCYP2D6CTSLCTSB
Potassium Ion SCHEMBL6395315 0.70 CA4 (0.33) CA1CA2
Potassium Ion SCHEMBL6395320 0.70 CA4 (0.33) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891059-B2 Asymmetric synthesis of pregabalin WARNER-LAMBERT COMPANY (US) 2005-05-10 US disclosed
EP-1250311-B1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER LAMBERT CO (US) 2004-03-17 EP disclosed
US-20030212290-A1 Asymmetric synthesis of pregabalin BURK MARK JOSEPH (US) 2003-11-13 US disclosed
EP-1250311-A1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY (US) 2002-10-23 EP disclosed
WO-2001055090-A1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY (US) 2001-08-02 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-20030212290-A1 Asymmetric synthesis of pregabalin GABRA5, GABRA6, GABRE CTSK 4382/4885CTSS 4046/4885CYP2D6 103/4885

“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.