SCHEMBL512759

SCHEMBL512759

O=C1CCCC1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
TRPV4 Q9HBA0 1/20 0.40
HDAC4 P56524 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.34
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 0.34
DGAT1 O75907 1/20 0.34
CNR2 P34972 1/20 0.34
TRPV3 Q8NET8 2/20 0.33
DAO P14920 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL25224478 0.77 HRH3 (0.40) HRH3TRPV4HDAC4TRPM8PSEN1
SCHEMBL25270485 0.77 HRH3 (0.40) HRH3TRPV4HDAC4TRPM8PSEN1
SCHEMBL25272110 0.77 HRH3 (0.40) HRH3TRPV4HDAC4TRPM8PSEN1
SCHEMBL27219395 0.76 HTR2C (0.43) PDE2A
SCHEMBL2744116 0.75 HRH3 (0.40) HRH3TRPV4HDAC4TRPM8PSEN1
SCHEMBL20010524 0.75 ESR2 (0.46) HRH3TRPV4HDAC4TRPM8PSEN1
SCHEMBL30409913 0.75 ESR2 (0.46) HRH3TRPV4HDAC4TRPM8PSEN1
SCHEMBL25920490 0.74 HRH3 (0.47) HRH3TRPV4HDAC4DGAT1TRPV3
SCHEMBL25647431 0.72 HTT (0.50) HRH3TRPV4HDAC4DGAT1KDM1A
SCHEMBL9331159 0.72 CHRNB2 (0.42)

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 9 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
CN-103328451-B Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2015-06-10 CN 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
EP-2668168-A1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-12-04 EP disclosed
CN-103328451-A Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2013-09-25 CN 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
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 HRH3 3373/4885TRPV4 4448/4885HDAC4 3175/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH3 3373/4885TRPV4 4448/4885HDAC4 3175/4885

“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.