SCHEMBL12259482

SCHEMBL12259482

Cc1ccc(C2(NC(C)C)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDR P35968 1/20 0.31
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12259528 0.81
SCHEMBL12258794 0.81 CA12 (0.30)
SCHEMBL12259573 0.81 FDPS (0.34) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL12258768 0.79 KCNH2 (0.32) ALDH1A1
SCHEMBL12259503 0.79
SCHEMBL12259483 0.78 HDAC3 (0.36) HDAC6HDAC3HDAC1HDAC2HRH3
SCHEMBL12259468 0.78 PDE2A (0.39) HDAC6RAB9AMAPTKDM4EHDAC3
SCHEMBL12259546 0.76 KDM4E (0.35) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL12259564 0.76 HCAR3 (0.41) HDAC6HDAC3HDAC1HDAC2HRH3
SCHEMBL12259480 0.75 ACVR1 (0.36) HRH3ALDH1A1

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-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 HDAC6 1496/4885CCR1 199/4885CCR5 365/4885

“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.