SCHEMBL7096423

SCHEMBL7096423

O=C(O)NCCc1ccc(NC2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EPHX1 P07099 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
P2RX7 Q99572 1/20 0.40
MC4R P32245 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL23928145 0.83 SMN1; SMN2 (0.44) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL23928244 0.83 NAMPT (0.46) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL23928177 0.82 NPC1 (0.42) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL23928178 0.82 NPC1 (0.42) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL7090774 0.81 NAMPT (0.52) NPC1RAB9AEPHX1ALDH1A1
SCHEMBL7092777 0.80 MEN1 (0.44) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL23291298 0.80 NPC1 (0.42) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL7095565 0.79 ADRB3 (0.50) MLNRMEN1KMT2A
SCHEMBL23928201 0.78 NAMPT (0.43) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL7095635 0.77 LTA4H (0.59) SMN1; SMN2MC4RALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 NPC1 1172/4885RAB9A 1800/4885EPHX1 1421/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NPC1 985/4885RAB9A 1702/4885EPHX1 1600/4885

“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.