SCHEMBL1100151

SCHEMBL1100151

Oc1ccc(CCN2CCC(Nc3nc4ccc(O)cc4n3Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.83
NR4A2 P43354 2/20 0.83
SSTR5 P35346 8/20 0.72
EED O75530 2/20 0.65
HRH1 P35367 2/20 0.65
HRH4 Q9H3N8 2/20 0.65
MEN1 O00255 1/20 0.65
MLNR O43193 1/20 0.65
CACNA1F O60840 1/20 0.65
USP2 O75604 1/20 0.65
ABCB11 O95342 1/20 0.65
EGFR P00533 1/20 0.65
LMNA P02545 1/20 0.65
HLA-A P04439 1/20 0.65
ERBB2 P04626 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
CHRM2 P08172 1/20 0.65

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
SCHEMBL1100874 0.93 KCNH2 (0.83) KCNH2NR4A2SSTR5EEDHRH1
SCHEMBL1099818 0.92 KCNH2 (0.79) KCNH2NR4A2SSTR5EEDHRH1
Desmetheylastemizole SCHEMBL29601510 0.91 KCNH2 (1.00) KCNH2NR4A2SSTR5EEDHRH1
Desmetheylastemizole SCHEMBL1152697 0.91 KCNH2 (1.00) KCNH2NR4A2SSTR5EEDHRH1
Desmetheylastemizole SCHEMBL11473379 0.90 KCNH2 (0.98) KCNH2NR4A2SSTR5EEDHRH1
Desmetheylastemizole SCHEMBL11473376 0.90 KCNH2 (0.98) KCNH2NR4A2SSTR5EEDHRH1
SCHEMBL11263431 0.88 SSTR5 (0.85) KCNH2NR4A2SSTR5EEDHRH1
SCHEMBL1100413 0.85 KCNH2 (0.79) KCNH2NR4A2SSTR5EEDHRH1
Hydrochloric Acid SCHEMBL11472866 0.85 KCNH2 (0.82) KCNH2NR4A2SSTR5EEDHRH1
Bromide SCHEMBL9699693 0.82 KCNH2 (0.67) KCNH2NR4A2SSTR5EEDHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153385-B2 Target protein and target gene in drug designing and screening method REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-04-10 US disclosed
US-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-06-03 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 (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-20100136524-A1 TARGET PROTEIN AND TARGET GENE IN DRUG DESIGNING AND SCREENING METHOD CHP1, CMA1, CARHSP1 KCNH2 3897/4885NR4A2 1458/4885SSTR5 3912/4885

“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.