SCHEMBL3558647

SCHEMBL3558647

C=Cc1ccc(C(=O)N(CC)CC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
BLM P54132 1/20 0.47
KDM4E B2RXH2 2/20 0.44
BCHE P06276 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
APP P05067 4/20 0.42
ABCG2 Q9UNQ0 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3560278 0.84 HCRTR1 (0.45) TRPA1HSP90AA1HSP90AB1KDM4EAPP
SCHEMBL3558642 0.79 CYP3A4 (0.46) ALDH1A1CYP1A2HSP90AA1HSP90AB1NPC1
SCHEMBL9171117 0.79 MEN1 (0.52) MEN1KMT2AALDH1A1CYP1A2HSP90AA1
SCHEMBL7291892 0.79 NPC1 (0.55) MEN1KMT2AALDH1A1CYP1A2HSP90AA1
SCHEMBL18310141 0.79 TRPA1 (0.59) TRPA1ALDH1A1KDM4EMAOAMAOB
SCHEMBL3558491 0.78 TSHR (0.52) MEN1KMT2AALDH1A1CYP1A2HSP90AA1
SCHEMBL3555397 0.78 KMT2A (0.54) MEN1KMT2AALDH1A1CYP1A2HSP90AA1
SCHEMBL14321618 0.77 TRPA1 (0.57) TRPA1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL30130383 0.73 OPRM1 (0.56) MEN1KMT2AALDH1A1CYP1A2HSP90AA1
SCHEMBL812080 0.73 OPRM1 (0.56) MEN1KMT2AALDH1A1CYP1A2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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 (2 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A TRPA1 174/4885MEN1 1542/4885KMT2A 3307/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B TRPA1 175/4885MEN1 1633/4885KMT2A 3492/4885

“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.