SCHEMBL2563989

SCHEMBL2563989

CCN(C)C(=O)c1cccc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GRM5 P41594 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.40
CYP1A2 P05177 1/20 0.39
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 2/20 0.36
CTSA P10619 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HDAC4 P56524 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10258703 0.85 ALDH1A1 (0.46) HPGDALDH1A1GRM5CYP1A2NPC1
SCHEMBL30911644 0.82 GRM5 (0.47) HPGDALDH1A1GRM5CYP1A2HTR7
SCHEMBL188335 0.82 GRM5 (0.47) HPGDALDH1A1GRM5CYP1A2HTR7
SCHEMBL28628270 0.81 KDM4E (0.59) ALDH1A1TRPM8CYP1A2NPC1RAB9A
SCHEMBL12678009 0.81 P2RX7 (0.53) HPGDGRM5TRPM8CYP1A2NPC1
SCHEMBL19151565 0.81 CYP1A2 (0.44) HPGDALDH1A1GRM5TRPM8CYP1A2
SCHEMBL19001345 0.80 NPC1 (0.42) HPGDALDH1A1TRPM8CYP1A2NPC1
SCHEMBL29024664 0.80 TRPM8 (0.40) HPGDALDH1A1TRPM8CYP1A2NPC1
SCHEMBL21264097 0.80 ALDH1A1 (0.41) HPGDALDH1A1GRM5CYP1A2HTR7
SCHEMBL28923327 0.79 TRPM8 (0.40) HPGDTRPM8CYP1A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 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 (2 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 HPGD 2101/4885ALDH1A1 2997/4885GRM5 404/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 HPGD 2101/4885ALDH1A1 2997/4885GRM5 404/4885

“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.