SCHEMBL2950502

SCHEMBL2950502

CN(C)CCNc1nc2c(c(N3CCCCCC3)n1)CCCCC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
POLB P06746 1/20 0.46
SLC29A1 Q99808 3/20 0.44
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RCE1 Q9Y256 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
SPIN4 Q56A73 1/20 0.38
SPIN3 Q5JUX0 1/20 0.38
SPIN2B Q9BPZ2 1/20 0.38
SPIN1 Q9Y657 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 4/20 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
SCHEMBL2951046 1.00 HRH3 (0.48) HRH3POLBSLC29A1PABPC1EIF4H
SCHEMBL2951544 0.97 HRH3 (0.45) HRH3POLBSLC29A1PABPC1EIF4H
SCHEMBL2951051 0.84 SLC29A1 (0.40) HRH3POLBSLC29A1PABPC1EIF4H
SCHEMBL2951585 0.82 UBE2N (0.45) HRH3PABPC1EIF4HHRH2HRH1
SCHEMBL2951601 0.82 UBE2N (0.45) HRH3PABPC1EIF4HHRH2HRH1
SCHEMBL2954356 0.80 UBE2N (0.43) HRH3PABPC1EIF4HHRH2HRH1
SCHEMBL1089859 0.75 NMT2 (0.43) SLC29A1SPIN4SPIN3SPIN2BSPIN1
SCHEMBL1089559 0.73 TRPV1 (0.46) HRH3SLC29A1HRH2HRH1HPGD
SCHEMBL1089836 0.73 HRH2 (0.44) HRH3SLC29A1HRH2HRH1HPGD
SCHEMBL1089907 0.73 HRH2 (0.44) HRH3SLC29A1HRH2HRH1HPGD

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 HRH3 94/4885POLB 2376/4885SLC29A1 102/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH3 94/4885POLB 2376/4885SLC29A1 102/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH3 94/4885POLB 2376/4885SLC29A1 102/4885

“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.