SCHEMBL7095635

SCHEMBL7095635

O=C(O)NCCc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MC4R P32245 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SIGMAR1 Q99720 4/20 0.53
DRD4 P21917 2/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.53
HTR5A P47898 1/20 0.51
ROCK2 O75116 1/20 0.51
CCR2 P41597 1/20 0.51
ROCK1 Q13464 1/20 0.51

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
SCHEMBL7096041 0.84 LTA4H (0.61) LTA4HMC4RKMT2APOLB
SCHEMBL23805141 0.84 KMT2A (0.66) LTA4HALDH1A1KDM4ESIGMAR1DRD4
SCHEMBL4229314 0.81 LTA4H (0.80) LTA4HSIGMAR1DRD4DRD2DRD3
SCHEMBL7092203 0.81 ADRB3 (0.57) POLB
SCHEMBL1936289 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EMC4RSMN1; SMN2KMT2A
SCHEMBL918426 0.80 KDM4E (0.66) LTA4HALDH1A1KDM4ESIGMAR1DRD4
SCHEMBL7288248 0.79 ACHE (0.68) LTA4HALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL6153555 0.79 LTA4H (0.66) LTA4HSIGMAR1DRD4DRD2DRD3
SCHEMBL23805137 0.78 CARM1 (0.68) KMT2APOLB
Hydrochloric Acid SCHEMBL6157025 0.78 LTA4H (0.65) LTA4HSIGMAR1DRD4DRD2DRD3

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 LTA4H 2156/4885ALDH1A1 725/4885KDM4E 4407/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LTA4H 2327/4885ALDH1A1 524/4885KDM4E 4579/4885

“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.