SCHEMBL7092693

SCHEMBL7092693

NCCc1ccc(NC2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.51
SMYD3 Q9H7B4 1/20 0.49
FLT3 P36888 9/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MAPK10 P53779 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7091945 0.88 RAB9A (0.53) RBP4FLT3ALDH1A1MAPTMAPK10
SCHEMBL7096114 0.82 MAPK14 (0.57) DRD2DRD3HTTNPC1RAB9A
SCHEMBL16002997 0.79 RBP4 (0.59) RBP4FLT3ALDH1A1MAPTMEN1
SCHEMBL7090760 0.78 ADRB3 (0.69)
SCHEMBL7095055 0.78 HRH4 (0.61) DRD2DRD3SMN1; SMN2
SCHEMBL16000508 0.77 RBP4 (0.57) RBP4FLT3ALDH1A1MAPTDRD2
SCHEMBL13826439 0.77 RBP4 (0.54) RBP4SMYD3FLT3ALDH1A1MAPT
Formic Acid SCHEMBL7095420 0.75 HRH4 (0.57) DRD3SMN1; SMN2
SCHEMBL4782359 0.74 NPC1 (0.57) RBP4ALDH1A1MAPTMAPK10DRD2
SCHEMBL21855639 0.73 FLT3 (0.65) RBP4FLT3ALDH1A1MAPTMAPK10

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-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

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 RBP4 2214/4885SMYD3 2679/4885FLT3 4222/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 RBP4 2271/4885SMYD3 2911/4885FLT3 4212/4885

“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.