SCHEMBL5577401

SCHEMBL5577401

Cc1c(Cl)cccc1C(=O)NCc1ccccc1C1(C#N)CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 3/20 0.47
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
GNRHR P30968 1/20 0.41
NR3C1 P04150 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRL1 P41146 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL5577559 0.88 MAPK8 (0.43) MT-CO2NR3C1MEN1RAB9AKMT2A
SCHEMBL5577536 0.87 DRD2 (0.42) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL5577480 0.87 MT-CO2 (0.54) MT-CO2MEN1RAB9AKMT2AOPRL1
SCHEMBL5577294 0.85 MT-CO2 (0.49) MT-CO2MEN1RAB9AKMT2AOPRL1
SCHEMBL5577372 0.84 GPR183 (0.44) GNRHROPRL1CHRM3
SCHEMBL5577806 0.82 MT-CO2 (0.45) MT-CO2MEN1RAB9AKMT2ACHRM3
SCHEMBL5577537 0.82 MT-CO2 (0.43) MT-CO2NR3C1MEN1RAB9AKMT2A
SCHEMBL5577459 0.82 MT-CO2 (0.42) MT-CO2NR3C1MEN1RAB9AKMT2A
SCHEMBL5577723 0.79 MT-CO2 (0.46) MT-CO2NR3C1MEN1RAB9AKMT2A
SCHEMBL5577846 0.78 MT-CO2 (0.51) MT-CO2MEN1KMT2A

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MT-CO2 2047/4885ADRA1D 2107/4885ADRA1A 1740/4885

“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.