SCHEMBL4670487

SCHEMBL4670487

Nc1ccc(N2CCN(CCCC3CCCC3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.45
DRD3 P35462 7/20 0.45
HDAC1 Q13547 2/20 0.44
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
KCNH2 Q12809 3/20 0.40
RAB9A P51151 1/20 0.40
S1PR1 P21453 1/20 0.39
CYP1A1 P04798 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL4670628 0.86 HDAC1 (0.51) DRD2DRD3HDAC1ADRB2ADRB1
SCHEMBL10499028 0.79 CYP1A1 (0.56) DRD2DRD3HDAC1KCNH2RAB9A
SCHEMBL3710958 0.75 DRD2 (0.52) DRD2DRD3HDAC1KCNH2RAB9A
SCHEMBL4670127 0.72 ADRB2 (0.42) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL4670041 0.72 ADRB2 (0.42) ADRB2ADRB1ADRB3NFE2L2
SCHEMBL10498437 0.71 RAB9A (0.49) DRD2DRD3HDAC1KCNH2RAB9A
SCHEMBL4670414 0.71 ADRB2 (0.41) DRD2DRD3ADRB2ADRB1ADRB3
Water SCHEMBL4673070 0.71 ADRB2 (0.42) ADRB2ADRB1ADRB3NFE2L2
Water SCHEMBL4672111 0.71 ADRB2 (0.42) ADRB2ADRB1ADRB3NFE2L2
SCHEMBL4670059 0.71 ADRB2 (0.42) ADRB2ADRB1ADRB3NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 US disclosed
EP-1054881-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-11-29 EP disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed
WO-1999032475-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 DRD2 482/4885DRD3 137/4885HDAC1 2619/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 DRD2 400/4885DRD3 130/4885HDAC1 3707/4885

“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.