SCHEMBL5013748

SCHEMBL5013748

CC(C)(C)OC(=O)C[C@H](O)CN

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
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
SCHEMBL27642890 1.00 GABRR1 (0.46) GABRR1LMNACYP2D6HDAC3HDAC1
SCHEMBL469702 0.90 CYP2D6 (0.41) GABRR1LMNACYP2D6HDAC3HDAC1
SCHEMBL29979714 0.90 CYP2D6 (0.41) GABRR1LMNACYP2D6HDAC3HDAC1
SCHEMBL6872772 0.90 CYP2D6 (0.41) GABRR1LMNACYP2D6HDAC3HDAC1
SCHEMBL6154559 0.87 CYP2D6 (0.50) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6873754 0.85 GABRR1 (0.41) GABRR1LMNACYP2D6HDAC3HDAC1
SCHEMBL2368380 0.84 CYP2D6 (0.42) GABRR1LMNACYP2D6HDAC3HDAC1
SCHEMBL23072790 0.82 GABRR1 (0.42) GABRR1LMNACYP2D6HDAC3HDAC1
SCHEMBL14822743 0.82 GABRR1 (0.38) GABRR1LMNACYP2D6HDAC3HDAC1
SCHEMBL28825762 0.82 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035357-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCE INC (US) 2026-02-05 US disclosed
US-12404262-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2025-09-02 US disclosed
EP-4440701-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2024-10-09 EP disclosed
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-07-06 US disclosed
WO-2023102523-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-20050234082-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 US disclosed
US-6872728-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-03-29 US disclosed
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2004-03-11 US disclosed
US-6608197-B2 Aminoalkyl-substituted pyrimidones NEUROCRINE BIOSCIENCES, INC. 2003-08-19 US disclosed
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2002-09-19 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 (7 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-20050234082-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GABRR1 175/4885LMNA 3749/4885CYP2D6 790/4885
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GABRR1 145/4885LMNA 4024/4885CYP2D6 572/4885
US-12404262-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 GABRR1 1640/4885LMNA 3518/4885CYP2D6 2283/4885
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GABRR1 145/4885LMNA 4024/4885CYP2D6 572/4885
US-20230212148-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CPSF6, NFATC1, CPSF1 GABRR1 3421/4885LMNA 1295/4885CYP2D6 494/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR GABRR1 175/4885LMNA 3749/4885CYP2D6 790/4885
US-20260035357-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION CCR10, CCR1, CCR3 GABRR1 316/4885LMNA 3767/4885CYP2D6 496/4885

“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.