SCHEMBL4521906

SCHEMBL4521906

O=C(CN1CCN(c2cc(F)ccc2OC2CCCC2)CC1)CN1C(=O)C2CC=CCC2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
CLK1 P49759 1/20 0.34

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
Hydrochloric Acid SCHEMBL4533811 0.99 MEN1 (0.40) MEN1KMT2ARAB9ANPC1GFER
Phosphoric Acid SCHEMBL5303126 0.96 MEN1 (0.38) MEN1KMT2ARAB9ANPC1GFER
Succinic Acid SCHEMBL5295485 0.96 MEN1 (0.38) MEN1KMT2ARAB9ANPC1GFER
Fumaric Acid SCHEMBL5295663 0.95 MEN1 (0.37) MEN1KMT2ARAB9ANPC1GFER
Maleic Acid SCHEMBL5297128 0.95 MEN1 (0.37) MEN1KMT2ARAB9ANPC1GFER
Cadaverine Tartrate SCHEMBL5307196 0.94 MEN1 (0.36) MEN1KMT2ARAB9ANPC1GFER
SCHEMBL4535333 0.90 MEN1 (0.40) MEN1KMT2ARAB9ATSHRALDH1A1
Hydrochloric Acid SCHEMBL4526384 0.89 MEN1 (0.39) MEN1KMT2ARAB9ATSHRALDH1A1
SCHEMBL4520493 0.89 RAB9A (0.51) MEN1KMT2ARAB9ANPC1ALDH1A1
Phosphoric Acid SCHEMBL5329669 0.87 MEN1 (0.38) MEN1KMT2ARAB9ATSHRALDH1A1

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
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP disclosed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A MEN1 3296/4885KMT2A 1424/4885RAB9A 2584/4885

“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.