SCHEMBL4248037

SCHEMBL4248037

CCNN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.62
MAPT P10636 9/20 0.61
ALDH1A1 P00352 7/20 0.61
POLB P06746 2/20 0.58
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ADRB1 P08588 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL27412409 0.88 SIRT6 (0.59) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL6151230 0.82 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL15271381 0.82 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL374222 0.80 SIRT6 (0.68) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL4822106 0.77 SIRT6 (0.60) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL4822111 0.77 MAPT (0.56) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL447471 0.77 SIRT6 (1.00) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL12240580 0.77 SIRT6 (0.74) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL1045292 0.77 SIRT6 (0.69) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL4248705 0.77 MAPT (0.69) SIRT6MAPTALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H SIRT6 3624/4885MAPT 2721/4885ALDH1A1 2701/4885

“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.