SCHEMBL17007249

SCHEMBL17007249

CN[C@H]1CCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.45
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
AGER Q15109 3/20 0.36
GRIN2B Q13224 1/20 0.36
MTNR1A P48039 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL20096128 0.89 SLC18A3 (0.46) SLC18A3SLC6A2SLC6A4TSHRGRIN2B
SCHEMBL11465060 0.83 SLC18A3 (0.63) SLC18A3OPRM1ALDH1A1TSHRGRIN2B
SCHEMBL11465059 0.83 SLC18A3 (0.63) SLC18A3OPRM1ALDH1A1TSHRGRIN2B
SCHEMBL11465061 0.83 SLC18A3 (0.63) SLC18A3OPRM1ALDH1A1TSHRGRIN2B
SCHEMBL17007365 0.80 SLC18A3 (0.42) SLC18A3ALDH1A1TSHRAGERMTNR1A
SCHEMBL26879524 0.76 SLC18A3 (0.50) SLC18A3SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL20063363 0.75 SLC18A3 (0.43) SLC18A3SLC6A2SLC6A4GRIN2BMEN1
SCHEMBL17007303 0.75 KMT2A (0.53) KMT2A
SCHEMBL12685154 0.75 SLC18A3 (0.66) SLC18A3SLC6A2SLC6A4OPRM1AGER
SCHEMBL14873965 0.75 SLC18A3 (0.66) SLC18A3SLC6A2SLC6A4OPRM1AGER

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
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US disclosed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US disclosed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 US disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 US disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 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 (5 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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R SLC18A3 1156/4885SLC6A2 872/4885SLC6A4 1214/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R SLC18A3 1051/4885SLC6A2 810/4885SLC6A4 1175/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R SLC18A3 1051/4885SLC6A2 810/4885SLC6A4 1175/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R SLC18A3 1156/4885SLC6A2 872/4885SLC6A4 1214/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 SLC18A3 4233/4885SLC6A2 4053/4885SLC6A4 4108/4885

“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.