SCHEMBL3623381

SCHEMBL3623381

O=C(OCc1ccccc1)C1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 2/20 0.49
FABP5 Q01469 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAMPT P43490 1/20 0.42

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
SCHEMBL3617827 0.91 SLC6A2 (0.45) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL15457715 0.91 SLC6A2 (0.45) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL16369972 0.89 PKM (0.42) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL22674745 0.88 L3MBTL1 (0.47) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL850188 0.86 FABP7 (0.50) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL20656959 0.86 FABP7 (0.45) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL6666657 0.85 FABP7 (0.58) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL10917021 0.85 FABP7 (0.58) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL280126 0.85 FABP7 (0.58) FABP7FABP5SMN1; SMN2NPC1RAB9A
SCHEMBL2209386 0.84 TDP1 (0.50) FABP7FABP5SMN1; SMN2NPC1RAB9A

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
WO-2021226206-A2 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
EP-1893579-B1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK SHARP & DOHME (US) 2013-05-01 EP disclosed
US-7816380-B2 1-hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2009-03-05 US disclosed
EP-1893579-A1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006132837-A1 l-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2006-12-14 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-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives BDKRB1, BDKRB2, HRH4 FABP7 3029/4885FABP5 3377/4885SMN1; SMN2 3999/4885

“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.