SCHEMBL1430481

SCHEMBL1430481

Cc1ccc(C(=O)N2CCNCC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
HPGD P15428 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
ALDH1A1 P00352 1/20 0.47
RIPK1 Q13546 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNC P24863 3/20 0.46
CDK8 P49336 3/20 0.46

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
SCHEMBL30863972 1.00 GRM5 (0.55) GRM5MKNK1MKNK2SIGMAR1HPGD
SCHEMBL10138889 0.94 HRH3 (0.59) GRM5MKNK1MKNK2SIGMAR1HPGD
SCHEMBL20687922 0.85 GRM5 (0.67) GRM5HPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL5909240 0.85 GRM5 (0.71) GRM5HPGDALDH1A1KDM4EL3MBTL1
SCHEMBL8253628 0.84 SIGMAR1 (0.57) MKNK1MKNK2SIGMAR1HPGDHRH3
SCHEMBL5909310 0.84 GRM5 (0.73) GRM5HPGDALDH1A1KDM4E
SCHEMBL601820 0.84 ALDH1A1 (0.53) GRM5MKNK1MKNK2HPGDHRH3
SCHEMBL13850295 0.83 SIGMAR1 (0.56) MKNK1MKNK2SIGMAR1HPGDHRH3
SCHEMBL5908983 0.83 GRM5 (0.58) GRM5MKNK1MKNK2HPGDHRH3
SCHEMBL5909238 0.81 HPGD (0.64) GRM5HPGDGABRA5ALDH1A1RAB9A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-05-02 US disclosed
WO-2021003050-A2 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
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
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO 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
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
US-20120029189-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-02-02 US disclosed
CN-102099337-A Piperazine derivatives useful as CAV2.2 calcium channel modulators CONVERGENCE PHARMACEUTICALS 2011-06-15 CN disclosed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO 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 (6 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-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D GRM5 397/4885MKNK1 2308/4885MKNK2 1019/4885
US-20170057919-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 GRM5 41/4885MKNK1 1775/4885MKNK2 2028/4885
US-20180022704-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 GRM5 41/4885MKNK1 1775/4885MKNK2 2028/4885
US-20240140954-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF CYP11B2, SDHA, CYP3A43 GRM5 3425/4885MKNK1 3522/4885MKNK2 2857/4885
US-20140343279-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 GRM5 41/4885MKNK1 1775/4885MKNK2 2028/4885
US-20120029189-A1 PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS HRH3, HRH4, HRH1 GRM5 41/4885MKNK1 1775/4885MKNK2 2028/4885

“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.