SCHEMBL23920908

SCHEMBL23920908

CCCCC(C)N1CCC(CO)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
KDM2B Q8NHM5 1/20 0.33
GBA2 Q9HCG7 2/20 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
SCHEMBL23733428 0.89 HRH3 (0.37) HRH3UBE2MDCUN1D1
SCHEMBL17715681 0.82 NCF1 (0.44) UBE2MDCUN1D1KDM2B
SCHEMBL3532821 0.81 HRH3 (0.39) HRH3
SCHEMBL25447960 0.81 LMNA (0.34) HRH3SIGMAR1
SCHEMBL8362610 0.79 OPRM1 (0.34) SIGMAR1UBE2MDCUN1D1KDM2B
SCHEMBL25448116 0.79 LMNA (0.37) SIGMAR1
SCHEMBL19087091 0.79 CYP1A2 (0.39) HRH3KDM2B
SCHEMBL28122630 0.78
SCHEMBL21540272 0.77 LMNA (0.38) GBA2
SCHEMBL25447999 0.77 LMNA (0.38) GBA2

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-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 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 (3 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-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 HRH3 3554/4885SIGMAR1 1413/4885UBE2M 3285/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 HRH3 3554/4885SIGMAR1 1413/4885UBE2M 3285/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 HRH3 3554/4885SIGMAR1 1413/4885UBE2M 3285/4885

“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.