SCHEMBL16471702

SCHEMBL16471702

CCOC(=O)c1cc2c(cn1)c(Br)cn2CCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
TNF P01375 2/20 0.41
MAP3K5 Q99683 2/20 0.39
GABRA1 P14867 7/20 0.38
GABRG2 P18507 7/20 0.38
GABRB3 P28472 7/20 0.38
GABRA5 P31644 7/20 0.38
GABRA3 P34903 7/20 0.38
GABRA2 P47869 7/20 0.38
GABRA4 P48169 7/20 0.38
GABRA6 Q16445 7/20 0.38
GABRP O00591 6/20 0.38
GABRD O14764 6/20 0.38
GABRB1 P18505 6/20 0.38
GABRB2 P47870 6/20 0.38
GABRE P78334 6/20 0.38
GABRG1 Q8N1C3 6/20 0.38
GABRG3 Q99928 6/20 0.38
GABRQ Q9UN88 6/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL16471701 0.89 CNR2 (0.47) CNR2MAP3K5GABRA1GABRG2GABRB3
SCHEMBL15417914 0.88 CNR2 (0.42) CNR2TNFMAP3K5GABRA1GABRG2
SCHEMBL16471710 0.88 CNR2 (0.46) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL16471711 0.84 CNR2 (0.43) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL16471709 0.77 CNR2 (0.47) CNR2TNFMAP3K5GABRA1GABRG2
SCHEMBL15417944 0.76 REN (0.44) CNR2MAP3K5GABRA1GABRG2GABRB3
SCHEMBL15417884 0.76 CNR2 (0.43) CNR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL2297064 0.75 MAP3K5 (0.54) MAP3K5GABRA1GABRG2GABRB3GABRA5
SCHEMBL2946990 0.73 GABRA1 (0.46) CNR2MAP3K5GABRA1GABRG2GABRB3
SCHEMBL16471704 0.73 CNR2 (0.36) CNR2ALDH1A1SMN1; SMN2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 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 (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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 CNR2 185/4885TNF 4744/4885MAP3K5 1098/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE CNR2 321/4885TNF 4805/4885MAP3K5 698/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 CNR2 185/4885TNF 4744/4885MAP3K5 1098/4885

“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.