SCHEMBL4802434

SCHEMBL4802434

CC1CN(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)CC(C)N1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
GHSR Q92847 5/20 0.55
MAPT P10636 3/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.51
CTSV O60911 4/20 0.45
CTSL P07711 4/20 0.45
ABCB1 P08183 1/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL4802423 1.00 KMT2A (0.56) KMT2AGHSRMAPTHTTSMN1; SMN2
SCHEMBL4802144 0.81 GHSR (0.52) KMT2AGHSRMAPTHTTSMN1; SMN2
SCHEMBL4802163 0.81 GHSR (0.52) KMT2AGHSRMAPTHTTSMN1; SMN2
SCHEMBL1845491 0.81 HTR6 (0.59) MAPTHTTSMN1; SMN2NPSR1POLB
SCHEMBL4801345 0.81 GHSR (0.54) KMT2AGHSRMAPTHTTSMN1; SMN2
SCHEMBL4801336 0.81 GHSR (0.54) KMT2AGHSRMAPTHTTSMN1; SMN2
SCHEMBL3049503 0.79 MAPT (0.59) KMT2AMAPTSMN1; SMN2NPSR1POLB
SCHEMBL2762828 0.79 POLB (0.56) KMT2AMAPTNPSR1POLBCTSV
SCHEMBL7940000 0.74 ALDH1A1 (0.57) KMT2AMAPTHTTSMN1; SMN2NPSR1
SCHEMBL7829917 0.74 MAOA (0.47) POLBCTSVCTSLABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR KMT2A 2190/4885GHSR 1/4885MAPT 4705/4885

“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.