SCHEMBL2843829

SCHEMBL2843829

Cc1cnc(N)nc1NCC(=O)N(C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.48
▸ SIGMAR1 Q99720 4/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HTR2C P28335 3/20 0.46
▸ HTR2B P41595 3/20 0.46
▸ OPRM1 P35372 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CHRM2 P08172 3/20 0.42
▸ CHRM3 P20309 3/20 0.42
▸ CCR5 P51681 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ CCR4 P51679 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRM4 P08173 1/20 0.40

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
Fumaric Acid SCHEMBL2850216 0.96 SIGMAR1 (0.52) KCNH2SIGMAR1DRD2HTR2AHTR2C
Maleic Acid SCHEMBL2850208 0.96 SIGMAR1 (0.52) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL2845283 0.90 KCNH2 (0.49) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL15934438 0.85 KCNH2 (0.48) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL13173260 0.85 ACHE (0.48) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL2845731 0.85 NUDT1 (0.39) KCNH2
SCHEMBL2847267 0.82 MCHR1 (0.51) KCNH2SIGMAR1OPRM1CHRM2CHRM3
SCHEMBL16232439 0.82 KCNH2 (0.49) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL2846358 0.81 KCNH2 (0.52) KCNH2SIGMAR1DRD2HTR2AHTR2C
SCHEMBL13173289 0.80 KCNH2 (0.53) KCNH2SIGMAR1DRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 — — EP disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 — — US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 — — US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 — — US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 — — US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 — — US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 — — US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 — — US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 — — US disclosed
EP-2679586-A1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same Daiichi Sankyo Company, Limited (JP) 2014-01-01 — — EP disclosed
US-8592435-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-11-26 — — US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 — — US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 — — US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 — — US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 — — US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 — — US disclosed
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-27 — — US disclosed
EP-2151439-A1 NITROGENATED AROMATIC 6-MEMBERED RING DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-02-10 — — 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF KCNH2 1878/4885SIGMAR1 1333/4885DRD2 2001/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KCNH2 843/4885SIGMAR1 527/4885DRD2 1753/4885
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KCNH2 843/4885SIGMAR1 527/4885DRD2 1753/4885
US-20100130739-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 KCNH2 843/4885SIGMAR1 527/4885DRD2 1753/4885

“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.

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