SCHEMBL13439306

SCHEMBL13439306

CN(C)CCNC(=O)COc1cccc(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS1 P09382 1/20 0.55
▸ TRPV1 Q8NER1 1/20 0.54
▸ ROCK2 O75116 1/20 0.53
▸ ROCK1 Q13464 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ FFAR1 O14842 1/20 0.49
▸ CASP2 P42575 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46

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
SCHEMBL16384637 0.83 ALDH1A1 (0.63) LGALS1ROCK2ROCK1ALDH1A1NPSR1
SCHEMBL13462776 0.81 CYP1A2 (0.63) LGALS1ROCK2ROCK1ALDH1A1CASP2
SCHEMBL12082548 0.80 SYK (0.58) TRPV1FFAR1KDM4ECYP2C19PPARG
SCHEMBL13439305 0.78 FFAR1 (0.45) TRPV1ALDH1A1FFAR1NPSR1KDM4E
SCHEMBL4403419 0.77 SMN1; SMN2 (0.55) TRPV1ALDH1A1FFAR1NPSR1KDM4E
SCHEMBL29754911 0.77 KMT2A (0.53) TRPV1ALDH1A1FFAR1KDM4EHPGD
SCHEMBL27090181 0.77 KMT2A (0.53) TRPV1ALDH1A1FFAR1KDM4EHPGD
SCHEMBL12993061 0.76 ALDH1A1 (0.51) TRPV1ALDH1A1FFAR1KDM4ELMNA
SCHEMBL20982727 0.75 CASP2 (0.54) LGALS1ROCK2ROCK1ALDH1A1CASP2
SCHEMBL1986392 0.75 SMN1; SMN2 (0.65) FFAR1LMNACYP2C19PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933077-B2 Glucokinase activators ARRAY BIOPHARMA INC. (US) 2015-01-13 — — US disclosed
US-20100056530-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-03-04 — — US disclosed
US-20100056530-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-03-04 — — 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-20100056530-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 LGALS1 1160/4885TRPV1 4787/4885ROCK2 2514/4885

“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.

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