Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1926412

CCCCCCC(N)c1nc(C2CCCCC2)c[nH]1.N

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.33
CNR2 P34972 3/20 0.33
CTSK P43235 3/20 0.32
CTSS P25774 2/20 0.32
SLC2A1 P11166 1/20 0.32
CCR2 P41597 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
EPHX2 P34913 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL1927519 0.99 CNR1 (0.34) CNR1CNR2CTSKCTSSSLC2A1
SCHEMBL1929929 0.82 EPHX1 (0.32) CNR1CNR2CTSKCTSSCCR2
SCHEMBL2337547 0.79 CCR2 (0.36) CNR1CNR2CCR2EPHX2
SCHEMBL1928938 0.74 HDAC4 (0.40) CTSK
SCHEMBL5435446 0.74 CNR1 (0.32) CNR1CNR2CCR2
SCHEMBL1926334 0.70 TLR8 (0.41) SLC2A1S1PR4S1PR1S1PR5
SCHEMBL1926337 0.70 TLR8 (0.41) SLC2A1S1PR4S1PR1S1PR5
SCHEMBL1926339 0.70 TLR8 (0.41) SLC2A1S1PR4S1PR1S1PR5
SCHEMBL1925627 0.69 TLR8 (0.41) SLC2A1S1PR4S1PR1S1PR5
SCHEMBL1925626 0.69 TLR8 (0.41) SLC2A1S1PR4S1PR1S1PR5

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-8288560-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2012-10-16 US disclosed
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 US disclosed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US disclosed
US-7291641-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-11-06 US disclosed
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2007-08-02 US disclosed
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 US disclosed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US disclosed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 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 (6 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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT CNR1 400/4885CNR2 339/4885CTSK 2286/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA CNR1 432/4885CNR2 350/4885CTSK 1319/4885
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 CNR1 13/4885CNR2 22/4885CTSK 3778/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 CNR1 5/4885CNR2 15/4885CTSK 3866/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 CNR1 17/4885CNR2 27/4885CTSK 3916/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 CNR1 27/4885CNR2 55/4885CTSK 3836/4885

“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.