SCHEMBL257533

SCHEMBL257533

CC1(c2ccc(F)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.49
ALDH1A1 P00352 2/20 0.43
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPK14 Q16539 2/20 0.38
GPR35 Q9HC97 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC4 P56524 1/20 0.36
SRD5A1 P18405 1/20 0.35
CNR1 P21554 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
SCHEMBL20628768 0.92 BACE1 (0.46) BACE1ALDH1A1HCAR3HCAR2GPR35
SCHEMBL22400205 0.92 BACE1 (0.46) BACE1ALDH1A1HCAR3HCAR2MAPK14
SCHEMBL24665777 0.81 CYP3A4 (0.38) BACE1ALDH1A1HDAC4
SCHEMBL13261319 0.79 HDAC4 (0.37) BACE1ALDH1A1HCAR3HCAR2MAPK14
SCHEMBL30874809 0.79 BACE1 (0.38) BACE1
SCHEMBL14625577 0.79 PTGDR (0.37) BACE1HDAC6SRD5A1
SCHEMBL13172238 0.79 BACE1 (0.38) BACE1
SCHEMBL26816774 0.76 PDE2A (0.40) CYP2C19
SCHEMBL20326725 0.76 PDE2A (0.42) HDAC6
SCHEMBL4245293 0.76 BACE1 (0.42) BACE1ALDH1A1HCAR3HCAR2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 BACE1 2695/4885ALDH1A1 538/4885HCAR3 1406/4885

“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.