SCHEMBL13462776

SCHEMBL13462776

CCc1cccc(OCC(=O)NCCN(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.63
▸ CYP2D6 P10635 2/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ ROCK2 O75116 1/20 0.61
▸ ROCK1 Q13464 1/20 0.61
▸ LGALS1 P09382 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CASP2 P42575 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47

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 0.84 ALDH1A1 (0.63) ROCK2ROCK1LGALS1POLBALDH1A1
SCHEMBL13439306 0.81 LGALS1 (0.55) CYP1A2CYP2D6CYP2C19ROCK2ROCK1
SCHEMBL11986817 0.80 PPARA (0.52) SMN1; SMN2KDM4EPOLBALDH1A1LMNA
SCHEMBL10272935 0.79 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EPOLBALDH1A1LMNA
SCHEMBL22237406 0.78 KDM4E (0.62) SMN1; SMN2KDM4EPOLBALDH1A1LMNA
SCHEMBL20113556 0.77 ROCK2 (1.00) CYP2D6ROCK2ROCK1ALDH1A1CYP3A4
SCHEMBL4487061 0.76 SMN1; SMN2 (0.56) CYP2D6SMN1; SMN2POLBLMNAMEN1
SCHEMBL20982727 0.76 CASP2 (0.54) CYP1A2CYP2D6CYP2C19ROCK2ROCK1
SCHEMBL10272937 0.76 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EPOLBALDH1A1LMNA
SCHEMBL10174538 0.75 SMN1; SMN2 (0.56) CYP1A2CYP2C19SMN1; SMN2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 2024/4885CYP2D6 1951/4885CYP2C19 2819/4885

“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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