SCHEMBL680047

SCHEMBL680047

CC(C)(C)N1CC(F)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL20434854 0.88 CRHBP (0.41) CRHBPCRHR2ALDH1A1
SCHEMBL12445299 0.81 CRHBP (0.39) CRHBPCRHR2ALDH1A1
SCHEMBL20434848 0.80 CRHBP (0.36) CRHBPCRHR2
SCHEMBL12127018 0.79 CRHBP (0.38) CRHBPCRHR2ALDH1A1
SCHEMBL680662 0.78 GRIN2D (0.36) CRHBPCRHR2
SCHEMBL17170028 0.78 CRHBP (0.39) CRHBPCRHR2ALDH1A1
SCHEMBL25094028 0.78
SCHEMBL24928385 0.77 CRHBP (0.37) CRHBPCRHR2ALDH1A1
SCHEMBL20434849 0.77 CRHBP (0.37) CRHBPCRHR2ALDH1A1
SCHEMBL19504471 0.76 CRHBP (0.33) CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-11780873-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2023-10-10 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R&D) LTD. (GB) 2010-01-14 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 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 (13 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 CRHBP 4600/4885CRHR2 4320/4885ALDH1A1 1144/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS CRHBP 1691/4885CRHR2 4043/4885ALDH1A1 2297/4885
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 CRHBP 2722/4885CRHR2 3333/4885ALDH1A1 2908/4885
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer HSP90AA1, HSP90AB1, HSP90AB2P CRHBP 2334/4885CRHR2 2101/4885ALDH1A1 1275/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 CRHBP 4068/4885CRHR2 3932/4885ALDH1A1 1715/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CRHBP 808/4885CRHR2 1030/4885ALDH1A1 4740/4885
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P CRHBP 2023/4885CRHR2 818/4885ALDH1A1 1315/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 CRHBP 3431/4885CRHR2 2754/4885ALDH1A1 876/4885
US-11780873-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG CRHBP 1647/4885CRHR2 2506/4885ALDH1A1 773/4885
US-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD CRHBP 4383/4885CRHR2 4658/4885ALDH1A1 3440/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 CRHBP 1707/4885CRHR2 717/4885ALDH1A1 2173/4885
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG CRHBP 1482/4885CRHR2 2925/4885ALDH1A1 759/4885
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C CRHBP 864/4885CRHR2 314/4885ALDH1A1 1382/4885

“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.