SCHEMBL368552

SCHEMBL368552

C=CCN(C)c1nc(Cl)nc2c1CCC2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
UGT1A1 P22309 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
CDK1 P06493 1/20 0.31
CDK5 Q00535 1/20 0.31
GBA1 P04062 1/20 0.31
DRD1 P21728 3/20 0.31
DRD2 P14416 2/20 0.31
MTOR P42345 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL361153 0.89 GBA1 (0.34) SIGMAR1UGT1A1KCNH2SLCO1B1GBA1
SCHEMBL360433 0.89 CYP3A4 (0.31) UGT1A1KCNH2SLCO1B1CYP3A4CYP2D6
SCHEMBL512978 0.85 UGT1A1 (0.34) SIGMAR1UGT1A1KCNH2SLCO1B1GBA1
SCHEMBL10258090 0.82 HRH4 (0.36) SIGMAR1UGT1A1KCNH2SLCO1B1HCAR2
SCHEMBL512227 0.82 HRH4 (0.36) SIGMAR1UGT1A1KCNH2SLCO1B1HCAR2
SCHEMBL513642 0.79 EEF2K (0.38) GBA1CYP1A2ALOX15
SCHEMBL362391 0.78 HTR1A (0.30)
SCHEMBL361559 0.77 DRD1 (0.32) UGT1A1KCNH2SLCO1B1DRD1DRD2
SCHEMBL361140 0.75 KDM4E (0.39) SIGMAR1UGT1A1KCNH2SLCO1B1HIF1A
SCHEMBL362065 0.74 HCAR2 (0.38) UGT1A1KCNH2SLCO1B1DRD1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2593461-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-05-22 EP disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO 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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP SIGMAR1 3022/4885UGT1A1 2634/4885KCNH2 4384/4885

“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.