SCHEMBL1286699

SCHEMBL1286699

CC1CCN(Cc2ccccc2)C1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.79
HRH3 Q9Y5N1 1/20 0.58
BCHE P06276 4/20 0.57
BACE1 P56817 4/20 0.57
CCR3 P51677 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
MC4R P32245 1/20 0.52

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
SCHEMBL358435 1.00 ACHE (0.79) ACHEHRH3BCHEBACE1CCR3
SCHEMBL359069 1.00 ACHE (0.79) ACHEHRH3BCHEBACE1CCR3
SCHEMBL19709016 0.91 ACHE (0.72) ACHEHRH3BCHEBACE1CCR3
SCHEMBL12717 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL13083 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL5304179 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL156315 0.89 ACHE (1.00) ACHEHRH3BCHEBACE1CCR3
SCHEMBL5851135 0.88 ACHE (0.62) ACHEHRH3CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL2945383 0.87 ACHE (0.96) ACHEHRH3BCHEBACE1CCR3
SCHEMBL20343616 0.86 ACHE (0.60) ACHEHRH3CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285547-A Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation 弗特克斯药品有限公司 2023-12-26 CN disclosed
EP-3630772-B1 METHODS OF MAKING AND USING PDE9 INHIBITORS IMARA INC (US) 2023-11-01 EP disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
WO-2023141866-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 WO 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-20230009122-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-01-12 US disclosed
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 US disclosed
US-20070010490-A1 T-type calcium channel blockers NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-11 US disclosed
US-20070010490-A1 T-type calcium channel blockers NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-11 US disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 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-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI ACHE 4034/4885HRH3 487/4885BCHE 2241/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 ACHE 2757/4885HRH3 4242/4885BCHE 3370/4885
US-20230009122-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD ACHE 1250/4885HRH3 3870/4885BCHE 776/4885
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 4694/4885HRH3 4571/4885BCHE 3515/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ACHE 4238/4885HRH3 4540/4885BCHE 3195/4885
US-20070010490-A1 T-type calcium channel blockers CACNA1E, RYR2, RYR1 ACHE 1288/4885HRH3 286/4885BCHE 2807/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR ACHE 4779/4885HRH3 272/4885BCHE 4557/4885

“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.