SCHEMBL25096036

SCHEMBL25096036

CN1CCCN(CCC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHKA P35790 5/20 0.43
SIGMAR1 Q99720 4/20 0.41
CA2 P00918 1/20 0.41
NCF1 P14598 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL179282 0.91 RAB9A (0.41) SIGMAR1KDM4EALDH1A1
SCHEMBL22959615 0.91 POLB (0.41) SIGMAR1PRMT6KDM4EPOLB
SCHEMBL12025008 0.89 CARM1 (0.39) SIGMAR1PRMT6KDM4EPOLB
SCHEMBL179355 0.84 CARM1 (0.44) SIGMAR1PRMT6KDM4EALDH1A1POLB
SCHEMBL20125805 0.83
SCHEMBL13246592 0.83 ALOX15 (0.38) SIGMAR1ALDH1A1
SCHEMBL19543665 0.83 ALOX15 (0.38) SIGMAR1ALDH1A1
SCHEMBL19543020 0.83 ALOX15 (0.38) SIGMAR1ALDH1A1
SCHEMBL12563635 0.83 ALOX15 (0.38) SIGMAR1ALDH1A1
SCHEMBL24277911 0.81 HRH3 (0.48) SIGMAR1PRMT6ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20230070613-A1 PROTEIN TYROSINE KINASE 6 (PTK6) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-03-09 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 (2 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA CHKA 1614/4885SIGMAR1 2840/4885CA2 4120/4885
US-20230070613-A1 PROTEIN TYROSINE KINASE 6 (PTK6) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE PTK6, NEK6, GRK6 CHKA 905/4885SIGMAR1 4095/4885CA2 4764/4885

“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.