SCHEMBL2571980

SCHEMBL2571980

CC(C)(C)c1nc(-c2cccc(C(=O)N3CCCCC3)c2)cn1CC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
HPGD P15428 5/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TRPV3 Q8NET8 1/20 0.41
POLB P06746 1/20 0.40
PIK3CD O00329 1/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
PLK4 O00444 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
SCHEMBL2571322 0.87 CNR2 (0.41) CNR2
SCHEMBL2572048 0.87 NR5A2 (0.42) CNR2RAB9A
SCHEMBL2571693 0.85 CNR2 (0.42) CNR2
SCHEMBL2573284 0.85 CNR2 (0.42) CNR2
SCHEMBL12393323 0.84 CNR2 (0.41) CNR2
Hydrochloric Acid SCHEMBL2566184 0.84 CNR2 (0.42) CNR2
Hydrochloric Acid SCHEMBL3419124 0.83 CNR2 (0.39) CNR2
SCHEMBL2573349 0.83 CNR2 (0.41) CNR2TRPV3
SCHEMBL2572712 0.83 BRD4 (0.43) CNR2
SCHEMBL2571582 0.83 MTOR (0.43) CNR2HPGDTRPV3PIK3CD

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 CNR2 2/4885HPGD 2101/4885MEN1 3667/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CNR2 2/4885HPGD 2101/4885MEN1 3667/4885

“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.