SCHEMBL13005299

SCHEMBL13005299

CC(C)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.57
BACE1 P56817 5/20 0.53
BCHE P06276 3/20 0.53
CCR3 P51677 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
TACR1 P25103 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL13676574 1.00 ACHE (0.57) ACHEBACE1BCHECCR3CYP1A2
SCHEMBL13676573 1.00 ACHE (0.57) ACHEBACE1BCHECCR3CYP1A2
Dimethylamine SCHEMBL27829630 0.95 BACE1 (0.53) ACHEBACE1BCHECCR3CYP1A2
SCHEMBL19844795 0.90 CYP2D6 (0.60) ACHEBACE1BCHECYP1A2CYP3A4
SCHEMBL13411424 0.90 CYP2D6 (0.60) ACHEBACE1BCHECYP1A2CYP3A4
SCHEMBL10281961 0.90 CYP2D6 (0.60) ACHEBACE1BCHECYP1A2CYP3A4
SCHEMBL7952371 0.90 ACHE (0.66) ACHEBACE1BCHECCR3ALDH1A1
SCHEMBL14543724 0.89 ALDH1A1 (0.55) ACHEBACE1BCHECYP1A2CYP3A4
SCHEMBL14519160 0.89 ALDH1A1 (0.55) ACHEBACE1BCHECYP1A2CYP3A4
SCHEMBL19844797 0.89 ALDH1A1 (0.55) ACHEBACE1BCHECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2023141866-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 WO disclosed
US-11697804-B2 Transcriptionally targeted and CpG-free plasmid for theranostic gene therapy THE JOHNS HOPKINS UNIVERSITY (US) 2023-07-11 US disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230002790-A1 POLY(Beta-AMINO ESTER) NANOPARTICLES FOR THE NON-VIRAL DELIVERY OF PLASMID DNA FOR GENE EDITING AND RETINAL GENE THERAPY THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
WO-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
EP-1606267-B1 PYRAZINE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PROD INC (US) 2008-07-30 EP disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-7199123-B2 Pyrazine compounds as transforming growth factor (TGF) compounds PFIZER INC. (US) 2007-04-03 US disclosed
US-7199123-B2 Pyrazine compounds as transforming growth factor (TGF) compounds PFIZER INC. (US) 2007-04-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 ACHE 4707/4885BACE1 4019/4885BCHE 4781/4885
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A ACHE 4153/4885BACE1 3762/4885BCHE 3011/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 ACHE 4531/4885BACE1 3907/4885BCHE 4372/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 ACHE 4694/4885BACE1 1042/4885BCHE 3515/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ACHE 4238/4885BACE1 1454/4885BCHE 3195/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 ACHE 206/4885BACE1 18/4885BCHE 121/4885
US-11697804-B2 Transcriptionally targeted and CpG-free plasmid for theranostic gene therapy POLRMT, HDGF, PCNP ACHE 4870/4885BACE1 4612/4885BCHE 4579/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ACHE 2091/4885BACE1 4027/4885BCHE 1747/4885

“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.