SCHEMBL6319178

SCHEMBL6319178

COC(=O)c1cc(CNCC2CCNCC2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.42
ROCK2 O75116 2/20 0.40
PLAU P00749 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
VNN1 O95497 1/20 0.38
MCHR1 Q99705 2/20 0.37
KDM1A O60341 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL6832947 0.89 CHRM3 (0.44) CHRM3ROCK2PRMT5WDR77VNN1
SCHEMBL6751721 0.86 PLAU (0.41) CHRM3ROCK2PLAUMRGPRX4MCHR1
SCHEMBL6130341 0.85 CHRM3 (0.42) CHRM3ROCK2PRMT5WDR77
Hydrochloric Acid SCHEMBL6316344 0.84 CHRM3 (0.42) CHRM3ROCK2PRMT5WDR77
SCHEMBL6318034 0.83 KDM4E (0.46)
SCHEMBL6326438 0.83 CHRM3 (0.41) CHRM3ROCK2PRMT5WDR77KDM1A
SCHEMBL6326432 0.83 CHRM3 (0.41) CHRM3ROCK2PRMT5WDR77KDM1A
SCHEMBL7039054 0.83 MGLL (0.55) TSHR
SCHEMBL7041177 0.81 HRH2 (0.44) VNN1MCHR1
SCHEMBL7039071 0.81 HRH2 (0.44) VNN1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101675-A1 Benzamidine derivatives and process for production thereof TEIJIN LIMITED (JP) 2005-05-12 US disclosed
CN-1489575-A Benzamidine derivatives and process for producing same ������������ʽ���� 2004-04-14 CN disclosed
US-20030203935-A1 Cyanobiphenyl derivatives TEIJIN LIMITED 2003-10-30 US disclosed
EP-1357108-A1 BENZAMIDINE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF TEIJIN LIMITED (JP) 2003-10-29 EP disclosed
US-6538137-B1 Blood-coagulation factor X inhibitors TEIJIN LIMITED (JP) 2003-03-25 US disclosed
EP-1179527-A1 CYANOBIPHENYL DERIVATIVES TEIJIN LIMITED (JP) 2002-02-13 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 (2 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-20050101675-A1 Benzamidine derivatives and process for production thereof AOC2, TALDO1, AOC1 CHRM3 673/4885ROCK2 3243/4885PLAU 2846/4885
US-20030203935-A1 Cyanobiphenyl derivatives F9, F12, F11 CHRM3 3393/4885ROCK2 2136/4885PLAU 111/4885

“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.