SCHEMBL6074685

SCHEMBL6074685

CCCCN(C(=O)NCC(=O)O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPKAPK2 P49137 1/20 0.39
S1PR1 P21453 1/20 0.37
MLYCD O95822 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TACR1 P25103 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NPC1 O15118 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
SCHEMBL6988287 0.79 MAPKAPK2 (0.40) ADRB2ADRB1ADRB3MAPKAPK2S1PR1
SCHEMBL6074707 0.78 ADRB2 (0.41) ADRB2ADRB1ADRB3MAPKAPK2MLYCD
SCHEMBL6074050 0.74 ADRB2 (0.53) ADRB2ADRB1ADRB3S1PR1TP53
SCHEMBL6074638 0.72 KDM4E (0.51) HDAC6ADRB2ADRB1ADRB3MAPT
SCHEMBL25222350 0.67 HDAC6 (0.64) HDAC6HDAC1ADRB2CYP1A2MAPT
SCHEMBL7435696 0.67 NPC1 (0.51) CYP1A2MAPTCHRM2CHRM1CHRM3
SCHEMBL9475341 0.66 HDAC6 (0.62) HDAC6HDAC1ADRB2MAPTNPC1
SCHEMBL10778362 0.66 PLA2G2A (0.46) MAPTKMT2A
SCHEMBL6074811 0.65 MAPT (0.42) MAPTMAPK1HDAC3HDAC8NPC1
SCHEMBL6797196 0.65 GAA (0.54) KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HDAC6 3536/4885HDAC1 2422/4885ADRB2 3/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 HDAC6 3536/4885HDAC1 2422/4885ADRB2 3/4885

“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.