SCHEMBL257534

SCHEMBL257534

CC1(c2ccc(F)c(F)c2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.49
SLC6A4 P31645 10/20 0.49
SLC6A2 P23975 8/20 0.49
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
CCR2 P41597 1/20 0.39
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HPGD P15428 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL14625259 0.91 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL18501256 0.78 TRPV4 (0.44)
SCHEMBL24685651 0.77 GRIN2D (0.44) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL18016877 0.77 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL8365226 0.76 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL17186929 0.75 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL12020306 0.75 SLC6A4 (0.53) SLC6A3SLC6A4SLC6A2
SCHEMBL12898001 0.75 AKR1B10 (0.45) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL4745351 0.75 HDAC3 (0.40) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL24685664 0.74 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2

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 6 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

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 SLC6A3 3602/4885SLC6A4 3454/4885SLC6A2 3120/4885

“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.