SCHEMBL512709

SCHEMBL512709

Fc1cc(Cl)ccc1C1CCc2c(Cl)nc(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 1/20 0.36
OPRL1 P41146 4/20 0.33
PROKR1 Q8TCW9 1/20 0.31
ADRA1A P35348 1/20 0.31
KMT2A Q03164 2/20 0.31
PDE1B Q01064 1/20 0.31
GRM2 Q14416 2/20 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
SCHEMBL361640 0.89 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL512932 0.85 CYP11B1 (0.40) GRM2
SCHEMBL15445069 0.85 ADRA1A (0.31) ADRA1A
SCHEMBL512009 0.85 RIPK1 (0.35) HTR2AHTR2C
SCHEMBL512966 0.84 UGT1A1 (0.33) HTR2AHTR2CHTR2BOPRL1PROKR1
SCHEMBL15445071 0.82 KCNH2 (0.32) ADRA1A
SCHEMBL513572 0.82 GRM2 (0.35) ADRA1AGRM2
SCHEMBL512954 0.80 HTR2A (0.35) HTR2AHTR2CHTR2BOPRL1PROKR1
SCHEMBL512159 0.80 SLC6A2 (0.32) HTR2AHTR2CHTR2B
SCHEMBL512001 0.77 LMNA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2668168-A1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-12-04 EP disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 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 (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-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HTR2A 2291/4885HTR2C 3919/4885HTR2B 2692/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HTR2A 2291/4885HTR2C 3919/4885HTR2B 2692/4885

“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.