SCHEMBL301686

SCHEMBL301686

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
PKM P14618 2/20 0.62
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.50
GAA P10253 3/20 0.43
POLB P06746 1/20 0.42
P2RX7 Q99572 1/20 0.42
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 1/20 0.38

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
SCHEMBL28431413 0.85 PKM (0.62) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL26611017 0.83 ALDH1A1 (0.61) ALDH1A1PKML3MBTL1GAAPOLB
SCHEMBL9402854 0.83 ALDH1A1 (0.49) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL26611013 0.83 ALDH1A1 (0.61) ALDH1A1PKML3MBTL1GAAPOLB
SCHEMBL6058401 0.83 ALDH1A1 (0.61) ALDH1A1PKML3MBTL1GAAPOLB
SCHEMBL23406969 0.81 POLB (0.64) ALDH1A1PKML3MBTL1GAAPOLB
SCHEMBL21987803 0.81 POLB (0.64) ALDH1A1PKML3MBTL1GAAPOLB
SCHEMBL23406968 0.81 POLB (0.64) ALDH1A1PKML3MBTL1GAAPOLB
SCHEMBL5811941 0.81 ALDH1A1 (0.59) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL13644741 0.81 PKM (0.61) 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 21 patents — showing the first 20. 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
EP-2706853-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2017-06-14 EP 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
CN-103068807-B By using the preparation method of phenyl substituted heterocycle derivative of coupling process of palladium compound TEIJIN PHARMA LTD. (JP) 2016-05-25 CN 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-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20120318969-A1 METHOD FOR THE DIFFERENTIATION OF ALTERNATIVE SOURCES OF NAPHTHENIC ACIDS UNIVERSITY OF PLYMOUTH (GB) 2012-12-20 US disclosed
US-20120288796-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-20120288796-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-15 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
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof ABBOTT LABORATORIES 2006-12-07 US disclosed
WO-2006110516-A1 ACYLHYDRAZIDE P2X7 ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-5332779-A Polymerizable silica sol, adamantane derivative for use in the sol and cured resin prepared using the same KAWASAKI STEEL CORPORATION (JP) 1994-07-26 US disclosed
EP-0460560-A2 Polymerizable silica sol, adamantane derivative for use in the sol and cured resin prepared using the same KAWASAKI STEEL CORPORATION (JP) 1991-12-11 EP 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 (4 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-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof P2RX7, P2RX3, P2RX1 ALDH1A1 1492/4885PKM 1196/4885GRIN2D 64/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT ALDH1A1 2667/4885PKM 1467/4885GRIN2D 311/4885

“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.