SCHEMBL428189

SCHEMBL428189

CCOC(=O)C1CCc2ccccc2N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.53
SMYD3 Q9H7B4 1/20 0.49
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.44
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR1A P08908 4/20 0.42
HTR2A P28223 4/20 0.42
DRD3 P35462 4/20 0.42
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
MASP2 O00187 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL5849585 1.00 MTNR1A (0.53) MTNR1ASMYD3MAPTGAAKDM4E
SCHEMBL30358033 1.00 MTNR1A (0.53) MTNR1ASMYD3MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL6531864 0.99 MTNR1A (0.52) MTNR1ASMYD3MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL5849580 0.99 MTNR1A (0.52) MTNR1ASMYD3MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL5849581 0.99 MTNR1A (0.52) MTNR1ASMYD3MAPTGAAKDM4E
SCHEMBL30357968 0.89 MTNR1A (0.51) MTNR1ASMYD3MAPTGAAALDH1A1
SCHEMBL30358016 0.87 MTNR1A (0.49) MTNR1ASMYD3MAPTGAAKDM4E
SCHEMBL10334541 0.85 GAA (0.59) MTNR1AMAPTGAAKDM4EBRD4
SCHEMBL3182006 0.85 GAA (0.59) MTNR1AMAPTGAAKDM4EBRD4
SCHEMBL30213277 0.85 GAA (0.59) MTNR1AMAPTGAAKDM4EBRD4

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-0894796-A1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed
EP-0500686-B1 TRICYCLIC [6,5,5]/[6,6,5]-FUSED OXAZOLIDINONE ANTIBACTERIAL AGENTS UPJOHN CO (US) 1996-01-24 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
US-5247090-A Tricyclic [6,6,5]-fused oxazolidinone antibacterial agents THE UPJOHN COMPANY (US) 1993-09-21 US disclosed
US-5231188-A Tricyclic [6.5.51]-fused oxazolidinone antibacterial agents THE UPJOHN COMPANY (US) 1993-07-27 US disclosed
EP-0500686-A1 TRICYCLIC 6,5,5]/ 6,6,5]-FUSED OXAZOLIDINONE ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1992-09-02 EP disclosed
WO-1991007409-A1 TRICYCLIC [6,5,5]/[6,6,5]-FUSED OXAZOLIDINONE ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1991-05-30 WO disclosed
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 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 (1 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-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 48/4885SMYD3 4398/4885MAPT 2573/4885

“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.