SCHEMBL301313

SCHEMBL301313

CCC12CC3CC(Br)(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PKM P14618 2/20 0.41
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
ALOX15 P16050 1/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL9402854 0.87 ALDH1A1 (0.49) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL5000748 0.81 ALDH1A1 (0.44) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL962559 0.79 ALDH1A1 (0.43) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL11657982 0.79 GRIN2D (0.57) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL301562 0.76 MEN1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL301686 0.75 ALDH1A1 (0.64) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL23489293 0.72 GRIN2D (0.62) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL23457528 0.72 GRIN2D (0.62) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL23489295 0.72 GRIN2D (0.62) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL19149468 0.72 GRIN2D (0.62) ALDH1A1PKMGRIN2DGRIN3BGRIN1

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-12240857-B2 Adamantane derivatives for the treatment of filovirus infection ARISAN THERAPEUTICS INC. (US) 2025-03-04 US disclosed
EP-3405183-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION Arisan Therapeutics Inc. (US) 2018-11-28 EP disclosed
WO-2017127306-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS (US) 2017-07-27 WO disclosed
WO-2017127306-A1 ADAMATANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS (US) 2017-07-27 WO disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 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 (3 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-12240857-B2 Adamantane derivatives for the treatment of filovirus infection IFNAR1, MEP1B, MEP1A ALDH1A1 652/4885PKM 4245/4885GRIN2D 3988/4885
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 ALDH1A1 308/4885PKM 450/4885GRIN2D 3620/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH ALDH1A1 150/4885PKM 874/4885GRIN2D 3567/4885

“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.