SCHEMBL1081023

SCHEMBL1081023

CCCCCNC1C2CC3CC1CN(C3)C2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 7/20 0.42
▸ EPHX2 P34913 3/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FUCA1 P04066 7/20 0.35

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
SCHEMBL17352352 0.78 EPHX2 (0.58) GBA1EPHX2LMNASMN1; SMN2FUCA1
SCHEMBL17352418 0.74 LMNA (0.55) GBA1EPHX2LMNASMN1; SMN2
SCHEMBL11736631 0.71 GBA1 (0.57) GBA1FUCA1
SCHEMBL14119129 0.71 CYP1A2 (0.30) —
SCHEMBL23970134 0.69 EPHX2 (0.53) GBA1EPHX2LMNASMN1; SMN2
SCHEMBL28633234 0.69 EPHX2 (0.53) GBA1EPHX2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL29411691 0.68 EPHX2 (0.51) GBA1EPHX2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL22163972 0.68 EPHX2 (0.51) GBA1EPHX2LMNASMN1; SMN2
SCHEMBL11585505 0.66 FUCA1 (0.35) GBA1FUCA1
SCHEMBL2614256 0.61 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870757-B1 Fluoro-substituted adamantane derivatives PFIZER (US) 2002-06-12 — — EP claimed
US-6057364-A USED FOR TREATING NEUROLOGICAL DISORDERS, SUCH AS MEMORY LOSS AND PARKINSON'S DISEASE, AND BACTERIAL AND VIRAL INFECTIONS PFIZER INC (US) 2000-05-02 — — US claimed
EP-0870757-A2 Fluoro-substituted adamantane derivatives PFIZER INC. (US) 1998-10-14 — — EP claimed
EP-0076755-B1 ACYLAMINO-4-AZA-1-ADAMANTANES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC USE ETABLISSEMENTS NATIVELLE S.A. (FR) 1988-01-13 — — EP claimed
US-4578382-A ANTIARRHYTHMIA AGENTS ETABLISSEMENTS NATIVELLE S.A. (FR) 1986-03-25 — — US claimed
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 — — US disclosed
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-02-03 — — US disclosed
WO-2011001258-A1 COMPOSITIONS, METHODS, AND KITS FOR TREATING VIRAL AND BACTERIAL INFECTIONS BY TOCOTRIENOLS, TOCOMONOENOLS, TOCODIENOLS, TOCOPHEROLS, AND THEIR DERIVATES EVITA LIFE SCIENCE PTE. LTD (SG) 2011-01-06 — — WO disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 — — WO disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 — — US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 — — WO disclosed
EP-0870757-B1 Fluoro-substituted adamantane derivatives PFIZER (US) 2002-06-12 — — EP disclosed
US-6057364-A USED FOR TREATING NEUROLOGICAL DISORDERS, SUCH AS MEMORY LOSS AND PARKINSON'S DISEASE, AND BACTERIAL AND VIRAL INFECTIONS PFIZER INC (US) 2000-05-02 — — US disclosed
EP-0870757-A2 Fluoro-substituted adamantane derivatives PFIZER INC. (US) 1998-10-14 — — EP disclosed
US-4578382-A ANTIARRHYTHMIA AGENTS ETABLISSEMENTS NATIVELLE S.A. (FR) 1986-03-25 — — US disclosed
US-4578382-A ANTIARRHYTHMIA AGENTS ETABLISSEMENTS NATIVELLE S.A. (FR) 1986-03-25 — — US disclosed
US-4578382-A ANTIARRHYTHMIA AGENTS ETABLISSEMENTS NATIVELLE S.A. (FR) 1986-03-25 — — 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT GBA1 27/4885EPHX2 1794/4885LMNA 166/4885
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 GBA1 1526/4885EPHX2 1373/4885LMNA 641/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 GBA1 1526/4885EPHX2 1373/4885LMNA 641/4885

“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.

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