SCHEMBL7268591

SCHEMBL7268591

O=C(O)C(c1ccc(F)cc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.43
HDAC6 Q9UBN7 2/20 0.40
NOTUM Q6P988 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYP2D6 P10635 1/20 0.40
CPA1 P15085 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR1E P28566 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1565063 0.93 HTR1E (0.47) CACNA1BHDAC6MEN1LMNAMAPT
SCHEMBL23212038 0.88 SLC6A2 (0.47)
Bromide SCHEMBL21381681 0.87 SLC6A2 (0.46)
SCHEMBL22758089 0.83 CACNA1B (0.42) CACNA1BHDAC6HDAC3HDAC4HDAC1
SCHEMBL6253315 0.82 SRC (0.44) HDAC6MEN1LMNAMAPTHTR1E
SCHEMBL66920 0.82 LMNA (0.54) CYP2D6MEN1LMNAMAPTHTR1E
SCHEMBL5644523 0.81 ACACB (0.44) HDAC6MEN1LMNAMAPTHTR1E
SCHEMBL6912075 0.81 FFAR2 (0.48) CYP2D6MEN1KMT2AFFAR2
SCHEMBL11280154 0.81 SLC6A3 (0.42) HDAC6MEN1LMNAMAPTHTR1E
SCHEMBL11157600 0.81 HTR1E (0.51) HDAC6MEN1LMNAMAPTHTR1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
EP-3408256-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS Takeda Pharmaceutical Company Limited (JP) 2018-12-05 EP disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed
EP-0386675-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1996-06-05 EP disclosed
US-5068236-A Diuretics, renal protective agents and hypotensives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-11-26 US disclosed
EP-0386675-A2 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-09-12 EP disclosed
US-4405639-A INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES; PARACITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4348323-A FLUORINE-CONTAINING BENZODIOXINE INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0008732-A2 Fluorine-containing esters of phenylacetic acids, process for their preparation and their use as insecticides and acaricides; intermediate products for their preparation BAYER AG (DE) 1980-03-19 EP disclosed
US-4137324-A Optionally substituted phenyl-α-cyclopropyl acetic acid esters and use as insecticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-01-30 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 (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-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 CACNA1B 240/4885HDAC6 1138/4885NOTUM 3078/4885

“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.