SCHEMBL2570252

SCHEMBL2570252

CCN(CC)C(=O)c1ccc(-c2cn(CC3CCCCC3)c(C(C)(C)C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.43
OPRM1 P35372 7/20 0.43
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
ACP1 P24666 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
OPRK1 P41145 6/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CDK2 P24941 2/20 0.38
AURKA O14965 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
EIF2AK2 P19525 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38

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
SCHEMBL2573388 0.90 BRD4 (0.42) CNR2ACP1CDK2CDK1CCNB1
SCHEMBL2570136 0.89 BRD4 (0.45) OPRD1OPRM1CNR2CNR1OPRK1
SCHEMBL2566387 0.86 MTOR (0.48) CNR2NPC1RAB9A
SCHEMBL2573456 0.82 ALDH1A1 (0.45) CNR1ACP1NPC1RAB9AALDH1A1
SCHEMBL2569501 0.82 ALDH1A1 (0.38) OPRD1OPRM1CNR2CNR1NPC1
SCHEMBL3419241 0.82 TLR8 (0.39) CNR2NPC1RAB9AALDH1A1MAPT
SCHEMBL2573545 0.80 NPC1 (0.42) OPRM1CNR2NPC1RAB9AOPRK1
SCHEMBL2572301 0.80 CNR1 (0.48) CNR1HPGDHRH3
SCHEMBL2571582 0.80 MTOR (0.43) CNR2CNR1HPGD
SCHEMBL2572447 0.79 MTOR (0.45) CNR2NPC1RAB9A

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 OPRD1 17/4885OPRM1 71/4885CNR2 2/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 OPRD1 17/4885OPRM1 71/4885CNR2 2/4885

“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.