SCHEMBL1645102

SCHEMBL1645102

COC(=O)c1ccc2cc(N3CCOCC3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.60
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RXFP1 Q9HBX9 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALOX15 P16050 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MGLL Q99685 1/20 0.52
KDM4E B2RXH2 3/20 0.52
HTT P42858 2/20 0.52
AKR1C3 P42330 1/20 0.51
PKM P14618 3/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NSD2 O96028 1/20 0.49

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
SCHEMBL30893008 0.87 ALDH1A1 (0.56) MRGPRX4ALDH1A1MEN1KMT2AMAPT
SCHEMBL1286077 0.87 ALDH1A1 (0.56) MRGPRX4ALDH1A1MEN1KMT2AMAPT
SCHEMBL1285220 0.87 ALDH1A1 (0.56) MRGPRX4ALDH1A1MEN1KMT2AMAPT
SCHEMBL1063179 0.87 ALDH1A1 (0.67) MRGPRX4ALDH1A1MEN1KMT2AMAPT
SCHEMBL1285085 0.86 RAB9A (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30343614 0.86 RAB9A (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20220824 0.86 RAB9A (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17631586 0.84 PRKDC (0.58) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1845583 0.83 MAPT (0.54) MRGPRX4ALDH1A1MEN1KMT2AMAPT
SCHEMBL4250883 0.83 KMO (0.68) MRGPRX4ALDH1A1MEN1KMT2AMAPT

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MRGPRX4 548/4885ALDH1A1 1265/4885MEN1 4500/4885

“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.