SCHEMBL3422699

SCHEMBL3422699

CC(C)CN1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIK3CD O00329 4/20 0.43
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.36

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
SCHEMBL17108650 0.86 CYP2D6 (0.47) CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4
SCHEMBL2608963 0.86 CYP2D6 (0.43) CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4
SCHEMBL25917688 0.84 CYP2D6 (0.46) CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4
SCHEMBL24235262 0.84 CYP2D6 (0.55) CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4
SCHEMBL26184568 0.84 CYP2D6 (0.46) CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4
SCHEMBL18926689 0.82 CYP2D6 (0.68) CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4
SCHEMBL24616015 0.81 DRD2 (0.37) CYP2D6SMN1; SMN2
SCHEMBL24616098 0.81 DRD2 (0.37) CYP2D6SMN1; SMN2
SCHEMBL4323995 0.81 CYP2D6 (0.35) CYP2D6SMN1; SMN2
SCHEMBL23740954 0.81 CYP2D6 (0.43) CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
US-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
WO-2023212240-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11746110-B2 Alkynyl (hetero) aromatic ring compounds used for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-09-05 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8158625-B2 Bicyclic indole-pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-04-17 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (11 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-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C CYP2D6 4860/4885SMN1; SMN2 651/4885PIK3CD 162/4885
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B CYP2D6 308/4885SMN1; SMN2 3866/4885PIK3CD 1553/4885
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 CYP2D6 2177/4885SMN1; SMN2 3259/4885PIK3CD 4/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD CYP2D6 2699/4885SMN1; SMN2 2134/4885PIK3CD 3/4885
US-11746110-B2 Alkynyl (hetero) aromatic ring compounds used for inhibiting protein kinase activity ALK, WEE1, WEE2 CYP2D6 844/4885SMN1; SMN2 4786/4885PIK3CD 423/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT CYP2D6 1897/4885SMN1; SMN2 4150/4885PIK3CD 2669/4885
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, NR1I2 CYP2D6 210/4885SMN1; SMN2 4370/4885PIK3CD 2179/4885
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors WNT1, WNT3, WNT3A CYP2D6 2778/4885SMN1; SMN2 2736/4885PIK3CD 843/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E CYP2D6 465/4885SMN1; SMN2 4053/4885PIK3CD 2040/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD CYP2D6 2614/4885SMN1; SMN2 2248/4885PIK3CD 3/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB CYP2D6 995/4885SMN1; SMN2 3309/4885PIK3CD 2/4885

“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.