SCHEMBL4825874

SCHEMBL4825874

CC(C)(O)c1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
LOXL2 Q9Y4K0 5/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
F10 P00742 1/20 0.41
F11 P03951 1/20 0.41
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
KLKB1 P03952 1/20 0.41
KIF11 P52732 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MAOB P27338 1/20 0.39
PSIP1 O75475 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL30369019 0.86 ABAT (0.40) ABATHRH3LOXL2NOS3NOS1
SCHEMBL18473554 0.82 ABAT (0.44) ABATHRH3LOXL2NOS3NOS1
SCHEMBL7684129 0.82 TAAR1 (0.58) LOXL2NOS3NOS1NOS2TAAR1
SCHEMBL28444643 0.80 ABAT (0.43) ABATHRH3LOXL2NOS3NOS1
SCHEMBL19741070 0.80 ABAT (0.43) ABATHRH3LOXL2NOS3NOS1
SCHEMBL11653 0.80 HRH3 (0.50) ABATHRH3LOXL2PLGKLK1
SCHEMBL128572 0.80 LPL (0.46) KIF11TAAR1ESR1ESR2
SCHEMBL548475 0.80 ESR1 (0.43) HRH3ESR1ESR2
SCHEMBL548192 0.80 MEN1 (0.45) TAAR1ESR1ESR2
SCHEMBL27962753 0.80 HRH3 (0.50) ABATHRH3LOXL2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105308162-A Compounds for a controlled release of active molecules FIRMENICH & CIE 2016-02-03 CN claimed
EP-1252157-B1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2004-06-23 EP claimed
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-25 US disclosed
EP-3883576-B1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-17 EP disclosed
US-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-09-16 US disclosed
US-20250026764-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2025-01-23 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
US-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-11-02 US disclosed
EP-4186910-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-05-31 EP disclosed
EP-4186910-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-05-31 EP disclosed
CN-1268107-A Linear acetal and ketal pro-fragrances PROCTER & GAMBLE (US) 2000-09-27 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
CN-1233947-A Fragrance delivery system PROCTER & GAMBLE (US) 1999-11-03 CN disclosed
CN-1233283-A Rinse added fabric softening compositions and methods for delivering perfume derivatives PROCTER & GAMBLE (US) 1999-10-27 CN disclosed
CN-1233282-A Laundry detergent compositions comprising beta-ketoester pro-fragrances PROCTER & GAMBLE (US) 1999-10-27 CN disclosed
CN-1233284-A Fragrance delivery system for liquid detergent compositions PROCTER & GAMBLE (US) 1999-10-27 CN disclosed
CN-1233281-A Hand-wash laundry detergent compositions comprising beta-ketoester pro-fragrances PROCTER & GAMBLE (US) 1999-10-27 CN disclosed
CN-1233276-A Rinse added fabric softening composition and method for delivery of pro-fragrances PROCTER & GAMBLE (US) 1999-10-27 CN disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO 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-20230348490-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885LOXL2 4115/4885
US-20250026764-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 ABAT 2198/4885HRH3 219/4885LOXL2 4115/4885
US-12414952-B2 Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2B, ADORA2A, ADORA3 ABAT 822/4885HRH3 464/4885LOXL2 4024/4885
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA1 ABAT 1514/4885HRH3 213/4885LOXL2 3028/4885

“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.