SCHEMBL803896

SCHEMBL803896

CN1CCC(/C(N)=N/O)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NCF1 P14598 1/20 0.38
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20781186 1.00 LMNA (0.44) LMNAMAPK1HTTNCF1HRH4
SCHEMBL20090727 0.80 NCF1 (0.37) NCF1SMN1; SMN2ALDH1A1
SCHEMBL14282247 0.77 LMNA (0.40) LMNAMAPK1HTT
SCHEMBL284533 0.77
SCHEMBL408223 0.77
SCHEMBL284532 0.77
SCHEMBL24378857 0.77 NCF1 (0.39) LMNAMAPK1HTTNCF1SMN1; SMN2
SCHEMBL15451922 0.77 SMN1; SMN2 (0.60) LMNAMAPK1HTTSMN1; SMN2
SCHEMBL2899053 0.77 LMNA (0.41) LMNAMAPK1HTTHRH3ALDH1A1
SCHEMBL13135836 0.77 LMNA (0.41) LMNAMAPK1HTTHRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597342-A Pyrrolidine derivative, pharmaceutical composition and application thereof in medicine 成都百裕制药股份有限公司 2024-02-23 CN disclosed
WO-2023237103-A1 PYRROLIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF IN MEDICINE 成都百裕制药股份有限公司 2023-12-14 WO disclosed
US-9751873-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2017-09-05 US disclosed
EP-2872504-B1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-10-27 US disclosed
US-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-06-16 US disclosed
WO-2015104356-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO disclosed
WO-2014009447-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (4 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-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA LMNA 3495/4885MAPK1 3546/4885HTT 2852/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 LMNA 4176/4885MAPK1 362/4885HTT 1029/4885
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB LMNA 3502/4885MAPK1 3109/4885HTT 2811/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 LMNA 4176/4885MAPK1 362/4885HTT 1029/4885

“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.