SCHEMBL2608963

SCHEMBL2608963

CC(C)CN1CCC(F)(F)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 13/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CD O00329 2/20 0.36
CYP3A4 P08684 10/20 0.36
CYP1A2 P05177 6/20 0.36
USP2 O75604 5/20 0.36
CYP2C19 P33261 2/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 4/20 0.34
CYP2C9 P11712 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL11922542 0.87 CYP3A4 (0.41) CYP2D6SMN1; SMN2CYP3A4CYP1A2USP2
SCHEMBL3422699 0.86 CYP2D6 (0.50) CYP2D6SMN1; SMN2PIK3CDCYP3A4ALDH1A1
SCHEMBL27281477 0.83 CYP2D6 (0.41) CYP2D6SMN1; SMN2PIK3CDCYP3A4CYP1A2
SCHEMBL27282020 0.83 CYP2D6 (0.41) CYP2D6SMN1; SMN2PIK3CDCYP3A4CYP1A2
SCHEMBL16852136 0.83 CYP2D6 (0.41) CYP2D6SMN1; SMN2PIK3CDCYP3A4CYP1A2
SCHEMBL23122804 0.83 DPP4 (0.33) CYP2D6SMN1; SMN2
SCHEMBL24616024 0.83 HDAC4 (0.34) CYP2D6SMN1; SMN2
SCHEMBL24616054 0.83 HDAC4 (0.34) CYP2D6SMN1; SMN2
SCHEMBL20747547 0.81 CHRM2 (0.34) CYP2D6
SCHEMBL26860169 0.81 CYP2D6 (0.40) CYP2D6SMN1; SMN2PIK3CDCYP3A4CYP1A2

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 216 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-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 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-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
WO-2023164235-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-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-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (8 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-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER CDC7, BUB1B, CDK7 CYP2D6 3853/4885SMN1; SMN2 3929/4885PIK3CD 240/4885
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B CYP2D6 308/4885SMN1; SMN2 3866/4885PIK3CD 1553/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CYP2D6 4183/4885SMN1; SMN2 3277/4885PIK3CD 2012/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 CYP2D6 553/4885SMN1; SMN2 1592/4885PIK3CD 4599/4885
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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CYP2D6 526/4885SMN1; SMN2 3072/4885PIK3CD 2753/4885
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CYP2D6 465/4885SMN1; SMN2 4053/4885PIK3CD 2040/4885

“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.