SCHEMBL12259573

SCHEMBL12259573

CC(C)NC1(c2ccc(Br)cn2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GBA1 P04062 1/20 0.32
RAB9A P51151 7/20 0.31
NPC1 O15118 6/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPK1 P28482 2/20 0.31
CASP3 P42574 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
SCHEMBL12259482 0.81 HDAC6 (0.36) ALDH1A1HPGDMAPTKDM4ERAB9A
SCHEMBL12310257 0.81 ALDH1A1 (0.36) FDPSALDH1A1TP53HPGDMEN1
SCHEMBL12259528 0.80
SCHEMBL12258794 0.80 CA12 (0.30)
SCHEMBL12258768 0.78 KCNH2 (0.32) ALDH1A1ALOX15
SCHEMBL12259479 0.78 RRM2 (0.32)
SCHEMBL12259483 0.76 HDAC3 (0.36)
SCHEMBL12259468 0.76 PDE2A (0.39) ALDH1A1MAPTKMT2AKDM4ETDP1
SCHEMBL12259546 0.75 KDM4E (0.35) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL12259425 0.75 HCAR3 (0.55) PPARG

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 FDPS 2610/4885ALDH1A1 1552/4885TP53 1767/4885

“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.