SCHEMBL8071001

SCHEMBL8071001

COC1(c2ccc(F)cc2)CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 4/20 0.39
SLC6A4 P31645 4/20 0.39
KCNH2 Q12809 4/20 0.39
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL13913301 0.84 OPRM1 (0.51) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL1284884 0.82 OPRM1 (0.44) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL12665882 0.82 OPRM1 (0.44) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL12122918 0.81 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL23605688 0.81 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1SLC6A3
SCHEMBL10057658 0.81 OPRM1 (0.51) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL10423359 0.80 OPRM1 (0.44) DRD2OPRM1SLC6A3KMT2ASIGMAR1
SCHEMBL27887266 0.79 SLC6A3 (0.47) DRD2OPRM1OPRD1OPRK1OPRL1
SCHEMBL1619394 0.79 OPRM1 (0.42) DRD2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL10423965 0.79 OPRM1 (0.46) DRD2OPRM1SLC6A3KMT2ASIGMAR1

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-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9701689-B2 Substituted pyridines and pyridazines as CCR10 receptor inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-11 US disclosed
US-9701689-B2 Substituted pyridines and pyridazines as CCR10 receptor inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-11 US disclosed
US-9643952-B2 Pyridone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-05-09 US disclosed
US-9643952-B2 Pyridone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-05-09 US disclosed
WO-2015182734-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 協和発酵キリン株式会社 2015-12-03 WO disclosed
US-20150315172-A1 PYRIDONE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-11-05 US disclosed
US-20150315172-A1 PYRIDONE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-11-05 US disclosed
US-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-22 US disclosed
EP-2930170-A1 PYRIDONE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-14 EP disclosed
EP-2927214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-07 EP disclosed
WO-2014084330-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 協和発酵キリン株式会社 (JP) 2014-06-05 WO disclosed
US-8148404-B2 Modulators of CB1 receptors 7TM PHARMA A/S (DK) 2012-04-03 US disclosed
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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 (3 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-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ARG1, H1-0, TYR DRD2 2610/4885OPRM1 1681/4885OPRD1 1318/4885
US-20150315172-A1 PYRIDONE COMPOUND HRH4, HRH3, HRH1 DRD2 1784/4885OPRM1 4613/4885OPRD1 3727/4885
US-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 DRD2 415/4885OPRM1 81/4885OPRD1 78/4885

“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.