SCHEMBL362552

SCHEMBL362552

N#Cc1ccc(N)cc1OCC(O)CCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ CYP2D6 P10635 7/20 0.39
▸ SLC6A2 P23975 6/20 0.39
▸ SLC6A4 P31645 6/20 0.39
▸ NOS2 P35228 5/20 0.39
▸ GAA P10253 1/20 0.38
▸ CASR P41180 4/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ ADRB2 P07550 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL18034716 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2GAA
SCHEMBL361193 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2CYP2D6SLC6A2
SCHEMBL16943311 0.73 KDM4E (0.49) ALDH1A1KDM4EUSP2GAA
SCHEMBL14439977 0.73 KDM4E (0.57) ALDH1A1KDM4EUSP2GAA
SCHEMBL1940230 0.72 KDM4E (0.56) ALDH1A1KDM4EUSP2GAAALOX15
SCHEMBL10365603 0.70 HTR1A (0.70) HTR1AADRA2AADRA2BMAOAHTR2B
SCHEMBL361721 0.70 KDM4E (0.49) ALDH1A1KDM4EUSP2ADRA2AADRA2B
SCHEMBL11161986 0.69 HTR1A (0.49) ALDH1A1KDM4EHTR1AADRA2AADRA2B
SCHEMBL6052309 0.69 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2GAA
SCHEMBL773268 0.69 HTR1A (0.62) ALDH1A1KDM4EHTR1AADRA2AADRA2B

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
CN-102971325-B For reducing the compound that amyloid-beta produces BRISTOL-MYERS SQUIBB CO. (US) 2016-01-20 — — CN 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
CN-102971325-A Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2013-03-13 — — CN 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 ALDH1A1 1538/4885KDM4E 4656/4885USP2 3621/4885

“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.

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