SCHEMBL3340261

SCHEMBL3340261

CCOC(=O)C(C(=O)OCC)C1CCCC(=O)C1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.71
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TLR4 O00206 1/20 0.33
PYGL P06737 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL5181852 1.00 THRB (0.71) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5180599 1.00 THRB (0.71) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL3228038 0.98 THRB (0.69) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL14944646 0.92 THRB (0.61) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5179351 0.90 THRB (0.57) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5179358 0.90 THRB (0.57) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5182268 0.90 THRB (0.57) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL17779599 0.85 THRB (0.64) THRBCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL16352666 0.84 THRB (0.55) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL11513211 0.84 CYP3A4 (0.62) THRBCYP3A4CYP2C9CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435415-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
US-10435415-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
US-20190023719-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-20190023719-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-10106559-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-23 US disclosed
US-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-9850258-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 US disclosed
US-9850258-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 US disclosed
CN-105358546-B The tetrahydro carbazole being substituted and carbazole carboxamide compounds useful as kinase inhibitor 百时美施贵宝公司 2017-10-31 CN disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
EP-1439159-A1 Process for producing optically active compound Kanto Kagaku Kabushiki Kaisha (JP) 2004-07-21 EP disclosed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
US-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 US disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
US-5015645-A Cognition activators CIBA-GEIGY CORPORATION (US) 1991-05-14 US disclosed
EP-0424315-A2 Tetracyclic pyrrole lactam derivatives CIBA-GEIGY AG (CH) 1991-04-24 EP 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-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds BACE1, APP, BACE2 THRB 1836/4885CYP3A4 1730/4885CYP2C9 2156/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 THRB 1567/4885CYP3A4 3402/4885CYP2C9 3345/4885
US-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 THRB 1039/4885CYP3A4 1558/4885CYP2C9 863/4885
US-20190023719-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 THRB 1039/4885CYP3A4 1558/4885CYP2C9 863/4885
US-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX THRB 4628/4885CYP3A4 77/4885CYP2C9 513/4885
US-10106559-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BTK, CNKSR1, JAK2 THRB 1039/4885CYP3A4 1558/4885CYP2C9 863/4885
US-10435415-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BTK, CNKSR1, JAK2 THRB 1039/4885CYP3A4 1558/4885CYP2C9 863/4885

“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.