Adamantane

Adamantane

SCHEMBL182780

C1C2CC3CC1CC(C2)C3.CCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Adamantane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 2/20 0.33
HSD11B1 P28845 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
KMT2A Q03164 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
Alcohol SCHEMBL3467099 0.85 ALDH1A1 (0.43) ALDH1A1TSHR
Alcohol SCHEMBL3285235 0.85 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C9
Adamantane SCHEMBL6037700 0.78 TSHR (0.46) TSHRCYP2C9EPHX2HSD11B1
Adamantane SCHEMBL1071737 0.78 L3MBTL1 (0.37) CYP2C9L3MBTL1EPHX2CHRNB2CHRNB4
Adamantane SCHEMBL1154916 0.77 CYP2C9 (0.47) TSHRCYP2C9L3MBTL1EPHX2HSD11B1
Adamantane SCHEMBL7737478 0.75 GRIN2D (0.40) TSHRCYP2C9L3MBTL1
Adamantane SCHEMBL15536146 0.75 ALDH1A1 (0.50) ALDH1A1CYP2C9L3MBTL1
Alcohol SCHEMBL1321514 0.71
Alcohol SCHEMBL8333259 0.71
Alcohol SCHEMBL28777127 0.71

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 208 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546393-A Self-adaptive self-healing hydrogel and preparation method and application thereof 思味趣生物科技(上海)有限公司 2024-08-27 CN claimed
CN-117736100-A Preparation method of diphenylamine adamantane substituent compound 维思普新材料(苏州)有限公司 2024-03-22 CN claimed
CN-108285439-B Carbonoside sodium glucose transport protein body 2 inhibitor 江苏天士力帝益药业有限公司 2023-05-02 CN claimed
CN-113897109-A Diatomite grafted polyurea modified humidity-regulating water-based acrylic coating and preparation method thereof 深圳市悟净贸易有限公司 2022-01-07 CN claimed
CN-104725194-B A kind of preparation method of adamantane alcohol compound 泸州大洲化工有限公司 2016-08-17 CN claimed
CN-104725194-A Preparation method of adamantanol compound LUZHOU DAZHOU CHEMICAL CO LTD 2015-06-24 CN claimed
US-8598292-B2 Adamantane derivative, method for producing same, polymer using same as starting material, and resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-12-03 US claimed
US-8481016-B2 Method for inhibition of potential-dependent cation channel KAO CORPORATION (JP) 2013-07-09 US claimed
US-20130045177-A1 Method for Inhibition of Potential-Dependent Cation Channel KAO CORPORATION (JP) 2013-02-21 US claimed
US-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC (JP) 2011-12-29 US claimed
US-20070141508-A1 Negative resist composition and method for forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2007-06-21 US claimed
US-20060134545-A1 Negative resist composition and process for formation of resist patterns TOKYO OHKA KOGYO CO., LTD. (JP) 2006-06-22 US claimed
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 US claimed
US-5922117-A Ink compositions containing alcohols XEROX CORPORATION (US) 1999-07-13 US claimed
JP-57079187-A None JP disclosed
JP-8259533-A None JP disclosed
WO-2024177174-A1 INK COMPOSITION COMPRISING CORE-SHELL-STRUCTURED METAL OXIDE 한남대학교 산학협력단 2024-08-29 WO disclosed
EP-0668290-A1 Physiologically active substance well capable of permeating biomembrane TEIKOKU SEIYAKU CO., LTD. (JP) 1995-08-23 EP disclosed
EP-0516851-A1 PHYSIOLOGICALLY ACTIVE SUBSTANCE WELL CAPABLE OF PERMEATING BIOMEMBRANE TEIKOKU SEIYAKU KABUSHIKI KAISHA (JP) 1992-12-09 EP disclosed
JP-S5779187-A MANUFACTURE OF PERFLUORO(ALKYL-SUBSTITUTED ADAMANTANE) AGENCY OF IND SCIENCE & TECHNOL 1982-05-18 JP 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-20130045177-A1 Method for Inhibition of Potential-Dependent Cation Channel TRPM7, TRPM8, OR10J3 ALDH1A1 844/4885TSHR 1275/4885CYP2C9 795/4885
US-20110319584-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING SAME, POLYMER USING SAME AS STARTING MATERIAL, AND RESIN COMPOSITION EEF1A1, ADGRF1, ERCC4 ALDH1A1 457/4885TSHR 3042/4885CYP2C9 3737/4885

“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.