SCHEMBL8274391

SCHEMBL8274391

O=C(NC[C@@H]1CCCN1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.60
▸ HPGD P15428 1/20 0.54
▸ SCN9A Q15858 1/20 0.53
▸ IKBKB O14920 8/20 0.53
▸ OPRM1 P35372 1/20 0.52
▸ HDAC4 P56524 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ PBK Q96KB5 1/20 0.49
▸ DPP4 P27487 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ CHUK O15111 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48

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
SCHEMBL31188482 1.00 ADRB1 (0.60) ADRB1HPGDSCN9AIKBKBOPRM1
SCHEMBL5088410 1.00 ADRB1 (0.60) ADRB1HPGDSCN9AIKBKBOPRM1
SCHEMBL3760743 0.95 ADRB1 (0.59) ADRB1HPGDSCN9AIKBKBOPRM1
SCHEMBL6221703 0.95 ADRB1 (0.59) ADRB1HPGDSCN9AIKBKBOPRM1
SCHEMBL3036514 0.85 SCN9A (0.54) SCN9AIKBKBHDAC4HDAC6CHUK
SCHEMBL3043463 0.85 SCN9A (0.51) ADRB1SCN9AIKBKBHDAC4HDAC6
SCHEMBL3289066 0.85 ACHE (0.52) ADRB1
SCHEMBL279926 0.85 SCN9A (0.54) HPGDSCN9AIKBKBOPRM1HDAC4
SCHEMBL13100535 0.84 THRB (0.54) IKBKBHDAC6DPP4ROCK2ROCK1
SCHEMBL279575 0.84 HPGD (0.59) HPGDSCN9AOPRM1HDAC6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533904-B Melanocortin subtype-2 receptor (MC 2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2024-10-29 — — CN claimed
CN-109476633-A The inhibitor of tryptophan 2,3- dioxygenase 荷兰转化研究中心有限责任公司 2019-03-15 — — CN disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 — — US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 — — US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 — — EP disclosed
WO-2005120494-A1 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 — — WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 — — 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 ADRB1 525/4885HPGD 2812/4885SCN9A 1489/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 ADRB1 723/4885HPGD 3617/4885SCN9A 110/4885

“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.

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