Adamantane

Adamantane

SCHEMBL7737478

C1C2CC3CC1CC(C2)C3.CCN

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.40
GRIN3B O60391 6/20 0.40
GRIN1 Q05586 6/20 0.40
GRIN2A Q12879 6/20 0.40
GRIN2B Q13224 6/20 0.40
GRIN2C Q14957 6/20 0.40
GRIN3A Q8TCU5 6/20 0.40
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT6 P42226 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2C9 P11712 1/20 0.32
L3MBTL1 Q9Y468 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
Adamantane SCHEMBL28705266 0.78 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL1071737 0.78 L3MBTL1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL1206076 0.77 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL15536146 0.75 ALDH1A1 (0.50) CYP2C9L3MBTL1
Adamantane SCHEMBL182780 0.75 ALDH1A1 (0.50) TSHRCYP2C9L3MBTL1
Adamantane SCHEMBL14696353 0.73 LMNA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL14778131 0.73 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL29229320 0.71 LMNA (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL12761 0.71 CYP2C9 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Adamantane SCHEMBL1527414 0.71 CYP2C9 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111470835-A Method and process for repairing concrete cracks in road and bridge construction 杭州市城市建设基础工程有限公司 2020-07-31 CN claimed
CN-111686075-B In-situ hydrogel composition taking nano-micelle as cross-linking agent and application thereof 四川大学 2021-09-17 CN disclosed
CN-110028439-B Phthalimide derivative and preparation method and application thereof 四川大学 2020-11-13 CN disclosed
CN-111686075-A In-situ hydrogel composition taking nano-micelle as cross-linking agent and application thereof 四川大学 2020-09-22 CN disclosed
CN-111470835-A Method and process for repairing concrete cracks in road and bridge construction 杭州市城市建设基础工程有限公司 2020-07-31 CN disclosed
CN-104203928-B Triazineon compounds and T-shaped calcium channel blocker 日产化学工业株式会社 2017-06-06 CN disclosed
US-20160028177-A1 ELECTRIC CONNECTION STRUCTURE AND TERMINAL AUTONETWORKS TECHNOLOGIES, LTD. (JP) 2016-01-28 US disclosed
US-20130072553-A1 DRUGS, DERIVATIVES AND ANALOGS CONTAINING ADAMANTANE STRUCTURES OF NEW INDICATION APPLICATIONS OF ANTI-TUMOR XU LIFENG (US) 2013-03-21 US disclosed
US-6407137-B2 A PRODRUG COMPOUND CAPABLE OF FACILITATING THE PASSAGE OF A DRUG ACROSS THE BLOOD BRAIN BARRIER COMPRISING A FATTY ACID COUPLED TO A DRUG TO FORM A PRODRUG PROTARGA, INC. 2002-06-18 US disclosed
US-20010056116-A1 Dopamine analog amide LUITPOLD PHARMACEUTICALS, INC. 2001-12-27 US disclosed
US-6107499-A FACILITATING THE TRANSPORT OF A NEUROTRANSMITTER ACROSS THE BLOOD BRAIN BARRIER BY ADMINISTERING THE DRUG, A NEUROTRANSMITTER SUCH AS DOPAMINE COVALENTLY COUPLED TO A SINGLE, STRAIGHT-CHAINED FATTY ACID CARRIER MOLECULE NEUROMEDICA, INC. (US) 2000-08-22 US disclosed
US-5994392-A PASSAGE OF DRUG THROUGH BLOOD BRAIN BARRIER NEUROMEDICA, INC. (US) 1999-11-30 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 (2 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-20130072553-A1 DRUGS, DERIVATIVES AND ANALOGS CONTAINING ADAMANTANE STRUCTURES OF NEW INDICATION APPLICATIONS OF ANTI-TUMOR ADA, GBA1, ADAM8 GRIN2D 956/4885GRIN3B 209/4885GRIN1 151/4885
US-20010056116-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 GRIN2D 532/4885GRIN3B 250/4885GRIN1 561/4885

“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.