SCHEMBL1779706

SCHEMBL1779706

CN(C)c1nc(-c2ccc(OCCCCCOc3ccc(C#N)cc3)cc2)c(CCN2CCOCC2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.59
HRH1 P35367 8/20 0.59
HRH2 P25021 7/20 0.59
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN2A Q99250 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SCN3A Q9NY46 1/20 0.43
LSS P48449 2/20 0.43
CDK1 P06493 1/20 0.43
KDR P35968 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1778571 0.86 HRH3 (0.62) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL1777370 0.86 HRH3 (0.59) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL1777827 0.85 HRH3 (0.61) HRH3HRH1HRH2
SCHEMBL727538 0.85 HRH3 (0.45) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL2816997 0.85 HRH3 (0.53) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL2745452 0.79 HRH3 (0.54) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL2810506 0.79 HRH3 (0.55) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL727691 0.77 HRH3 (0.48) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL5067350 0.77 RAB9A (0.43) HRH3KCNH2LMNA
SCHEMBL2812193 0.76 HRH3 (0.53) HRH3HRH1HRH2ALDH1A1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943646-B2 Benzamidine derivative, process for the preparation thereof and pharmaceutical composition comprising same DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-05-17 US disclosed
US-20090054642-A1 NOVEL BENZAMIDINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME DONGWHA PHARMACEUTICAL IND. CO., LTD. (KR) 2009-02-26 US disclosed
EP-1979334-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong Wha Pharmaceutical. Ind. Co., Ltd. (KR) 2008-10-15 EP disclosed
WO-2007089101-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL IND.CO., LTD. (KR) 2007-08-09 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 (1 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-20090054642-A1 NOVEL BENZAMIDINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SOST, BMP4, BST2 HRH3 120/4885HRH1 185/4885HRH2 141/4885

“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.