SCHEMBL841702

SCHEMBL841702

O=C(C1CCCC1)N(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.34
HSD11B1 P28845 1/20 0.33
GAA P10253 1/20 0.33
SLC6A9 P48067 1/20 0.33
EPHX1 P07099 1/20 0.32
RECQL P46063 1/20 0.32
NOS2 P35228 1/20 0.32
RIPK1 Q13546 1/20 0.32
NAAA Q02083 1/20 0.31

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
SCHEMBL839783 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL839779 0.94
SCHEMBL841284 0.88
SCHEMBL28062147 0.72 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2736560 0.72 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL27973990 0.72 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL15828044 0.70 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL16938641 0.70 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL761357 0.70 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
Hydrochloric Acid SCHEMBL7367917 0.70 CES2 (0.43) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US claimed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US claimed

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-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 CES2 855/4885CES1 1232/4885HDAC8 1368/4885

“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.