SCHEMBL1491049

SCHEMBL1491049

COc1cc[c]c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.36
CA1 P00915 4/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA4 P22748 1/20 0.36
ACHE P22303 2/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 5/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 3/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL28582611 0.82 CA12 (0.33) CA2CA1CA7CA9CA12
SCHEMBL315821 0.79 ACHE (0.39) CA2CA1CA7CA9CA12
SCHEMBL1849617 0.79 CA12 (0.35) CA2CA1CA7CA9CA12
SCHEMBL15389450 0.77 MAPT (0.33) CA2CA1CA7CA9CA12
SCHEMBL10771504 0.77 TP53 (0.37) CA2CA1CA7CA9CA12
SCHEMBL4176958 0.77 KDM4E (0.45) CA2CA1CA7CA9CA12
SCHEMBL9672525 0.74 KDM4E (0.42) ACHEKDM4EGAAMAPTALDH1A1
SCHEMBL16094670 0.74 PTGS2 (0.32) CA2CA1CA7CA9CA12
SCHEMBL9673011 0.73 ACHE (0.46) ACHEKDM4EPOLBGAAALDH1A1
SCHEMBL7885832 0.73 LTA4H (0.41) KMT2APOLBGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN claimed
EP-1005338-A4 SUBSTITUTED AURONE DERIVATIVES PHYTERA INC (US) 2001-11-07 EP claimed
WO-2001023887-A1 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed
EP-1005338-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 2000-06-07 EP claimed
US-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US claimed
WO-1999004789-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 1999-02-04 WO claimed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US claimed
US-5783577-A COMBINATORIAL LIBRARY FOR DRUG SCREENING TREGA BIOSCIENCES, INC. (US) 1998-07-21 US claimed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP claimed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US claimed
EP-0336123-A2 New chiral phosphinopyrrolidine compounds and their use for asymmetric synthesis of optically active compounds FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1989-10-11 EP claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 CA2 2388/4885CA1 4100/4885CA7 4072/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CA2 4471/4885CA1 4865/4885CA7 4714/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA CA2 4672/4885CA1 4883/4885CA7 4667/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP CA2 4309/4885CA1 4847/4885CA7 4648/4885

“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.