SCHEMBL1669686

SCHEMBL1669686

NC(=O)c1cc(N2CCN3CCC2CC3)ncc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CTPS1 P17812 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
NPY2R P49146 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 4/20 0.32
HTR3A P46098 3/20 0.32

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
SCHEMBL1668212 0.89 SMN1; SMN2 (0.40) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1668320 0.85 IRAK4 (0.36) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1670657 0.82 KCNH2 (0.35) KCNH2HTR3ACHRNA7
SCHEMBL1668779 0.79 JAK2 (0.39) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1668867 0.79 MAPT (0.40) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6887522 0.79 MAPT (0.44) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL780203 0.79 MAPT (0.58) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL11922337 0.78 IRAK4 (0.32) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL26089817 0.76 MAPT (0.52) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL29849606 0.76 MAPT (0.39) MAPTCYP3A4BLMPMP22ALDH1A1

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 10 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
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
EP-2488520-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MSD Oss B.V. (NL) 2012-08-22 EP 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
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 MAPT 157/4885CYP3A4 717/4885BLM 3893/4885

“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.