SCHEMBL7092200

SCHEMBL7092200

Cc1ccsc1C(=O)N1CCC(Sc2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
NAMPT P43490 2/20 0.42
PTGER4 P35408 1/20 0.41
SIGLEC9 Q9Y336 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL7096470 0.89 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRUSP2MAPT
SCHEMBL7091451 0.82 SIGLEC9 (0.45) ALDH1A1MAPK1TSHRUSP2MAPT
SCHEMBL7092095 0.77 NAMPT (0.63) ALDH1A1NAMPTMEN1KMT2ASIGMAR1
SCHEMBL7091444 0.74 CA1 (0.40) ALDH1A1MAPK1TSHRUSP2NAMPT
SCHEMBL7091607 0.72 SIGLEC9 (0.58) ALDH1A1MAPK1TSHRUSP2MAPT
SCHEMBL7570820 0.72 CYP3A4 (0.47) ALDH1A1NAMPTMEN1KMT2ASIGMAR1
SCHEMBL7144484 0.71 ALDH1A1 (0.51) ALDH1A1MAPK1TSHRUSP2MAPT
SCHEMBL2378017 0.70 NAMPT (0.55) ALDH1A1NAMPTPOLBMEN1KMT2A
SCHEMBL12283041 0.67 NPC1 (0.60) MAPTNAMPTPTGER4POLBKMT2A
SCHEMBL7090658 0.67 SIGLEC9 (0.61) ALDH1A1MAPK1TSHRUSP2MAPT

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 ALDH1A1 725/4885MAPK1 581/4885TSHR 603/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 524/4885MAPK1 377/4885TSHR 552/4885

“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.