SCHEMBL1925900

SCHEMBL1925900

CCCCCC[C@H](c1nc(-c2ccccc2OC)c[nH]1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
ALPL P05186 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL1928368 0.85 TACR3 (0.38) ADORA1
SCHEMBL1929440 0.84 TACR3 (0.36) ADORA3ADORA1SMN1; SMN2
SCHEMBL1927155 0.83 PTGES (0.37) TLR8SMN1; SMN2HPGD
SCHEMBL1928635 0.81 TACR3 (0.36) ADORA3ADORA1
SCHEMBL5442717 0.81 KDM4E (0.34) TLR8NPSR1SMN1; SMN2HPGDKMT2A
SCHEMBL1927824 0.80 BCHE (0.36) TLR8ADORA3ADORA1SMN1; SMN2PPARG
SCHEMBL2349057 0.79 CTSA (0.41) TLR8ADORA3ADORA1NPSR1SMN1; SMN2
SCHEMBL2349053 0.79 CTSA (0.41) TLR8ADORA3ADORA1NPSR1SMN1; SMN2
SCHEMBL1928643 0.79 PKM (0.36) PPARGKMT2AHDAC3HDAC4HDAC1
SCHEMBL1927235 0.77 TLR8 (0.46) TLR8CNR1CNR2ADORA3ADORA1

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
EP-1305294-B1 IMIDAZOLYL DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2007-04-25 EP claimed
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-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

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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT TLR8 4574/4885CNR1 400/4885CNR2 339/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA TLR8 4326/4885CNR1 432/4885CNR2 350/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 TLR8 1311/4885CNR1 17/4885CNR2 27/4885

“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.