SCHEMBL2943404

SCHEMBL2943404

CCCCCCN(C)c1nccc(NCCN(C)C)n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 10/20 0.68
HRH3 Q9Y5N1 2/20 0.56
TLR8 Q9NR97 1/20 0.47
CYP2C19 P33261 1/20 0.46
HRH4 Q9H3N8 3/20 0.37
DNM1 Q05193 3/20 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
SCHEMBL1091654 0.82 HRH3 (0.60) DNM2HRH3TLR8CYP2C19HRH4
SCHEMBL2947094 0.78 DNM2 (0.90) DNM2HRH3TLR8CYP2C19HRH4
SCHEMBL2943994 0.76 HRH3 (0.56) DNM2HRH3CYP2C19HRH4
SCHEMBL19476566 0.72 DNM2 (0.80) DNM2HRH3TLR8HRH4
SCHEMBL19477221 0.72 DNM2 (0.80) DNM2HRH3TLR8HRH4
SCHEMBL16840340 0.72 HRH3 (1.00) DNM2HRH3TLR8CYP2C19HRH4
SCHEMBL1319889 0.72 HRH3 (0.67) DNM2HRH3TLR8CYP2C19HRH4
SCHEMBL2945980 0.71 HRH3 (0.53) DNM2HRH3CYP2C19HRH4
SCHEMBL19700745 0.69 HCRTR1 (0.47) DNM2HRH3
SCHEMBL2952964 0.68 CYP2C19 (0.57) DNM2HRH3CYP2C19HRH4

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-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 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 (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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 DNM2 4429/4885HRH3 94/4885TLR8 315/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 DNM2 4429/4885HRH3 94/4885TLR8 315/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 DNM2 4429/4885HRH3 94/4885TLR8 315/4885

“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.