SCHEMBL6887916

SCHEMBL6887916

COCCn1c(C)nc2ccc(N3CCN4CCC3CC4)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.43
HRH3 Q9Y5N1 4/20 0.40
BRD4 O60885 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KCNH2 Q12809 2/20 0.39
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA2D1 P54289 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6887545 0.88 BRD4 (0.46) CHRNA7BRD4POLBALDH1A1TSHR
SCHEMBL6886315 0.86 HPGD (0.42) CHRNA7POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL6889157 0.85 ALDH1A1 (0.42) CHRNA7POLBALDH1A1TSHRKCNH2
SCHEMBL6889887 0.85 CHRNA7 (0.40) CHRNA7POLBALDH1A1TSHRCACNA2D1
SCHEMBL6886312 0.84 HPGD (0.40) CHRNA7BRD4POLBALDH1A1KDM4E
SCHEMBL6886562 0.84 ALDH1A1 (0.45) POLBALDH1A1TSHR
SCHEMBL6886460 0.83 CHRNA7 (0.52) CHRNA7HRH3GAAPOLBKCNH2
SCHEMBL11920586 0.82 RXFP1 (0.39) CHRNA7POLBALDH1A1
SCHEMBL6887807 0.82 CYP1A2 (0.47) CHRNA7ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL6887828 0.81 CHRNA7 (0.43) CHRNA7GAAALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 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 (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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 CHRNA7 3/4885HRH3 159/4885BRD4 499/4885

“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.