SCHEMBL16259082

SCHEMBL16259082

C/C(=N\C#N)NCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP1 P03956 1/20 0.33
MMP8 P22894 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
SCHEMBL738612 0.81 KDM4E (0.31)
SCHEMBL738611 0.81 KDM4E (0.31)
SCHEMBL2760178 0.77 CYP2D6 (0.37) CYP2D6CYP2C19MMP1MMP8
SCHEMBL4898680 0.75 CYP2D6 (0.35) CYP2D6CYP2C19MMP1MMP8
SCHEMBL4898671 0.75 CYP2D6 (0.35) CYP2D6CYP2C19MMP1MMP8
SCHEMBL12778136 0.75 CYP2D6 (0.35) CYP2D6CYP2C19MMP1MMP8
SCHEMBL13887669 0.75
SCHEMBL8229231 0.75
SCHEMBL11100227 0.74 ALDH1A1 (0.36) CYP2D6CYP2C19MMP1MMP8
SCHEMBL13946654 0.74 CYP2D6 (0.34) CYP2D6CYP2C19MMP1MMP8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374035-A1 RAS INHIBITORS Revolution Medicines, Inc. 2023-11-23 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-20220017566-A1 TERPINOID DERIVATIVES AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC 2022-01-20 US disclosed
WO-2021202720-A1 USE OF TRITERPENOID NRF2 INHIBITORS FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2021-10-07 WO disclosed
WO-2020068689-A1 TERPINOID DERIVATIVES AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-04-02 WO disclosed
US-20160362478-A1 CD4-MIMETIC SMALL MOLECULES SENSITIZE HUMAN IMMUNODEFICIENCY VIRUS TO VACCINE-ELICITED ANTIBODIES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-12-15 US disclosed
US-9403763-B2 CD4-mimetic inhibitors of HIV-1 entry and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-02 US disclosed
US-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-27 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 (5 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-20140350113-A1 CD4-MIMETIC INHIBITORS OF HIV-1 ENTRY AND METHODS OF USE THEREOF CD4, CD14, CCR5 CYP2D6 1986/4885CYP2C19 3337/4885MMP1 4562/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR CYP2D6 4714/4885CYP2C19 4869/4885MMP1 4279/4885
US-20220017566-A1 TERPINOID DERIVATIVES AND USES THEREOF KEAP1, PTGES, GSTK1 CYP2D6 2825/4885CYP2C19 2773/4885MMP1 3283/4885
US-20160362478-A1 CD4-MIMETIC SMALL MOLECULES SENSITIZE HUMAN IMMUNODEFICIENCY VIRUS TO VACCINE-ELICITED ANTIBODIES CD4, CD14, CD81 CYP2D6 4557/4885CYP2C19 4775/4885MMP1 4827/4885
US-20230374035-A1 RAS INHIBITORS KRAS, NRAS, HRAS CYP2D6 3178/4885CYP2C19 3930/4885MMP1 4721/4885

“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.