SCHEMBL1840316

SCHEMBL1840316

COC(=O)C1(NC(=O)c2ccc3[nH]ccc3c2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
CYP2D6 P10635 1/20 0.47
CHRNA7 P36544 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44

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
SCHEMBL1837480 0.86 MAOA (0.49) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3
SCHEMBL5410783 0.81 GRK2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6MAOA
SCHEMBL2917926 0.80 NPC1 (0.48) HDAC1NPC1HDAC2HDAC3RAB9A
SCHEMBL1810644 0.74 ALDH1A1 (0.52) CYP2D6HDAC1NPC1RAB9A
SCHEMBL1811403 0.74 DGAT2 (0.47)
SCHEMBL1811633 0.74 PDE4D (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1841568 0.74 CNR2 (0.52) NPC1RAB9A
SCHEMBL8514379 0.74 TAS1R3 (0.68) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL1809943 0.73 ALDH1A1 (0.41)
SCHEMBL1465584 0.73 SLC6A2 (0.48) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3

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 31 patents — showing the first 20. 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-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
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-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 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
US-8785631-B2 Oxazolone derivative compounds having a 3-oxa-1-azaspiro[4.5] core SEIKAGAKU CORPORATION (JP) 2014-07-22 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
US-8481725-B2 Cycloalkylcarbonylamino acid derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2013-07-09 US disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 US disclosed
US-20090131661-A1 Oxazolone Derivatives SEIKAGAKU CORPORATION (JP) 2009-05-21 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
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same SEIKAGAKU CORPORATION (JP) 2009-04-30 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 (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-20090131661-A1 Oxazolone Derivatives CTSK, CTSZ, CTSV TAS1R3 3274/4885TAS1R1 2462/4885SLC6A2 4799/4885
US-20090111983-A1 Cycloalkylcarbonylamino Acid Derivative and Process For Producing The Same CTSK, CTSS, CTSV TAS1R3 3348/4885TAS1R1 3321/4885SLC6A2 4088/4885

“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.