SCHEMBL9925438

SCHEMBL9925438

CC(C)CC1CCCN(C(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
CCR2 P41597 1/20 0.36
CYP2D6 P10635 7/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
GHSR Q92847 3/20 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
SCHEMBL26866907 0.94 CHRM5 (0.33) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL14453788 0.88 HRH3 (0.37) KCNH2
SCHEMBL18327495 0.88 HRH3 (0.37) KCNH2
SCHEMBL25089979 0.88 HRH3 (0.33) KCNH2CYP2D6
SCHEMBL18595816 0.85 KCNH2 (0.34) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL20953393 0.84 HRH3 (0.38) KCNH2
SCHEMBL21483800 0.83 ALDH1A1 (0.35) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL19570341 0.83 SIGMAR1 (0.36) KCNH2CCR2CYP2D6GHSR
SCHEMBL20224759 0.82 KCNH2 (0.35) KCNH2CCR2CYP2D6DRD2DRD3
SCHEMBL21037748 0.82 KCNH2 (0.36) KCNH2CCR2CYP2D6DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 US disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG TIANJIN JIKUN MEDICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
US-8450494-B2 Disubstituted benzamide derivatives as glucokinase (GK) activators CADILA HEALTHCARE LIMITED (IN) 2013-05-28 US disclosed
US-20130060019-A1 Compounds for Use in Treating Neurodegenerative Disorders, Synthesis Thereof, and Intermediates Thereto SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20120149704-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS CADILA HEALTHCARE LIMITED (IN) 2012-06-14 US disclosed
US-8178531-B2 Antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110218175-A1 ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2011-09-08 US disclosed
US-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed
US-7202246-B2 Spiro-rifamycin derivatives targeting RNA polymerase CUMBRE PHARMACEUTICALS INC. (US) 2007-04-10 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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 KCNH2 4869/4885CCR2 1333/4885CYP2D6 3541/4885
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK KCNH2 2256/4885CCR2 1044/4885CYP2D6 1760/4885
US-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 KCNH2 4094/4885CCR2 4326/4885CYP2D6 3259/4885
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG FGFR1, FGFR3, FGFR4 KCNH2 4343/4885CCR2 2799/4885CYP2D6 1725/4885
US-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS KCNH2 4569/4885CCR2 4524/4885CYP2D6 2362/4885
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS BTK, SYK, LYN KCNH2 4061/4885CCR2 706/4885CYP2D6 3828/4885
US-20110218175-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS KCNH2 4069/4885CCR2 380/4885CYP2D6 796/4885
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN KCNH2 1891/4885CCR2 1499/4885CYP2D6 2021/4885
US-20120149704-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS GCKR, GCK, GK KCNH2 256/4885CCR2 1772/4885CYP2D6 88/4885
US-20130060019-A1 Compounds for Use in Treating Neurodegenerative Disorders, Synthesis Thereof, and Intermediates Thereto SNCA, HTT, PARK7 KCNH2 3342/4885CCR2 3113/4885CYP2D6 851/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR KCNH2 4784/4885CCR2 3925/4885CYP2D6 4714/4885
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS KCNH2 4868/4885CCR2 1986/4885CYP2D6 3961/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB KCNH2 4674/4885CCR2 4376/4885CYP2D6 4561/4885

“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.