SCHEMBL13558696

SCHEMBL13558696

N=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(CC(=O)CC2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 2/20 0.40
CHRM3 P20309 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL7565778 0.85 NAMPT (0.50) CNR1POLBKMT2A
SCHEMBL7579866 0.80 KMT2A (0.44) POLBTDP1KMT2A
SCHEMBL8412195 0.79 ACKR3 (0.48) CNR1POLBTDP1KMT2A
SCHEMBL7566864 0.79 HPGD (0.46) KMT2A
SCHEMBL7561841 0.78 CNR1 (0.61) CNR1POLBCHRM3TDP1KMT2A
SCHEMBL7546328 0.78 HPGD (0.48) HRH1HRH4HRH3KMT2A
SCHEMBL7571176 0.76 MEN1 (0.45) CNR1KMT2A
SCHEMBL7563268 0.76 CNR1 (0.64) CNR1HRH1HRH4HRH3POLB
SCHEMBL7564910 0.76 CNR1 (0.52) CNR1HRH1HRH4HRH3POLB
SCHEMBL7565675 0.76 MEN1 (0.50) CNR1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D CNR1 3193/4885HRH1 756/4885HRH4 778/4885

“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.