SCHEMBL1838432

SCHEMBL1838432

O=C(NC1(C(=O)O)CCCCC1)c1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
SMYD3 Q9H7B4 1/20 0.41
NOS3 P29474 3/20 0.40
NOS1 P29475 3/20 0.40
NOS2 P35228 3/20 0.40
TSHR P16473 2/20 0.40
CREBBP Q92793 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR132 Q9UNW8 1/20 0.39
LPAR1 Q92633 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL28816075 0.75 NOS1 (0.45) TRPV1SMYD3NOS3NOS1NOS2
SCHEMBL1421351 0.73 NOS1 (0.56) SMYD3NOS3NOS1NOS2TSHR
SCHEMBL8504286 0.72 HDAC6 (0.49) TSHRGPR132LPAR1ERAP1KDM4E
SCHEMBL1837480 0.72 MAOA (0.49) SMYD3
SCHEMBL1119326 0.72 NOS1 (0.59) TRPV1SMYD3NOS3NOS1NOS2
SCHEMBL1837613 0.71 TSHR (0.59) TSHRLMNAKDM4EMEN1KMT2A
SCHEMBL1842072 0.71 TSHR (0.69) TSHRLMNAKDM4EALDH1A1MEN1
SCHEMBL1840185 0.70 KDM4E (0.47) TSHRGPR132ERAP1KDM4EALDH1A1
SCHEMBL1838741 0.70 PYGL (0.50) GPR132LPAR1ERAP1ALDH1A1MEN1
SCHEMBL1836676 0.70 CTSK (0.61) LMNAGPR132ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 US disclosed
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 US disclosed
CN-101370773-B Cycloalkanecarboxamide derivative and method for producing same SEIKAGAKU KOGYO CO LTD 2014-04-09 CN disclosed
US-8481725-B2 Cycloalkylcarbonylamino acid derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2013-07-09 US disclosed
EP-1975162-B1 OXAZOLONE DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2012-08-15 EP disclosed
EP-1972636-B1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-25 EP disclosed
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 EP disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same SEIKAGAKU CORPORATION (JP) 2009-05-28 US disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 US disclosed
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 US disclosed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 EP disclosed
EP-1975162-A1 OXAZOLONE DERIVATIVE SEIKAGAKU CORPORATION (JP) 2008-10-01 EP disclosed
EP-1972636-A1 CYCLOALKYLCARBONYLAMINO ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP 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 (4 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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV TRPV1 1194/4885SMYD3 4826/4885NOS3 765/4885
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB TRPV1 259/4885SMYD3 4379/4885NOS3 2728/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE TRPV1 881/4885SMYD3 3653/4885NOS3 1641/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV TRPV1 610/4885SMYD3 4221/4885NOS3 2432/4885

“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.