SCHEMBL738890

SCHEMBL738890

O=[N+]([O-])c1ccc(OC2CCN(C3CCC3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.55
KCNH2 Q12809 3/20 0.55
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSPB1 P04792 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3384471 0.95 HRH3 (0.48) HRH3KCNH2MAPTALDH1A1LMNA
SCHEMBL3882524 0.87 HSPB1 (0.49) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1749145 0.84 HSPB1 (0.49) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL30114540 0.84 HSPB1 (0.51) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2814281 0.83 MAPT (0.48) HRH3MAPTALDH1A1LMNAALOX12
SCHEMBL12094284 0.83 MAPT (0.48) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL28908019 0.83 HSPB1 (0.48) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2811370 0.81 HRH3 (0.54) HRH3MAPTALDH1A1LMNAALOX12
SCHEMBL17654114 0.81 MAPT (0.66) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL6121095 0.81 MAPT (0.46) HRH3MAPTALDH1A1LMNAALOX12

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 HRH3 2/4885KCNH2 308/4885MAPT 4377/4885

“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.