SCHEMBL10138889

SCHEMBL10138889

Cc1ccc(C(=O)N2CCCNCC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
GRM5 P41594 3/20 0.57
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 4/20 0.49
SIGMAR1 Q99720 1/20 0.49
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE2A O00408 1/20 0.45
ATR Q13535 2/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL1430481 0.94 GRM5 (0.55) HRH3GRM5MKNK1MKNK2ALDH1A1
SCHEMBL30863972 0.94 GRM5 (0.55) HRH3GRM5MKNK1MKNK2ALDH1A1
SCHEMBL601820 0.89 ALDH1A1 (0.53) HRH3GRM5MKNK1MKNK2ALDH1A1
SCHEMBL20687922 0.87 GRM5 (0.67) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL5909240 0.87 GRM5 (0.71) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL5909310 0.85 GRM5 (0.73) GRM5ALDH1A1HPGDLMNAMEN1
SCHEMBL18600325 0.83 HRH3 (0.59) HRH3GRM5MKNK1MKNK2ALDH1A1
SCHEMBL524766 0.83 HRH3 (0.59) HRH3GRM5MKNK1MKNK2HPGD
SCHEMBL10138693 0.81 GABRD (0.64) HRH3MKNK1MKNK2ALDH1A1HPGD
SCHEMBL8253628 0.79 SIGMAR1 (0.57) HRH3MKNK1MKNK2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022704-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-25 US disclosed
US-9809547-B2 Process for the preparation of histamine H3 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-11-07 US disclosed
US-20170057919-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US disclosed
US-9518021-B2 Process for the preparation of histamine H3 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-13 US disclosed
US-20140343279-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-11-20 US disclosed
US-8748596-B2 Process for the preparation of histamine H3 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-06-10 US disclosed
US-20120029189-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-02-02 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 (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-20170057919-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 HRH3 1/4885GRM5 41/4885MKNK1 1775/4885
US-20180022704-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 HRH3 1/4885GRM5 41/4885MKNK1 1775/4885
US-20140343279-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 HRH3 1/4885GRM5 41/4885MKNK1 1775/4885
US-20120029189-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 HRH3 1/4885GRM5 41/4885MKNK1 1775/4885

“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.