SCHEMBL19643085

SCHEMBL19643085

Nc1[nH]nc2c1CC(OCc1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
SCHEMBL8634850 0.77
SCHEMBL9547699 0.75 ACHE (0.60) OPRM1CYP2C19CHRM2CHRM1SLC6A2
SCHEMBL19642834 0.75 CA1 (0.53) DPP4CTSLCTSBCTSK
SCHEMBL19643187 0.75 CA1 (0.53) DPP4CTSLCTSBCTSK
SCHEMBL19642779 0.75 CA1 (0.53) DPP4CTSLCTSBCTSK
SCHEMBL28279773 0.75 CA1 (0.43) DPP4CTSLCTSBCTSKCYP2C19
SCHEMBL12858373 0.72 HCAR2 (0.60)
SCHEMBL24928590 0.71 ADRA1A (0.55) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL9547736 0.70 ACHE (0.50) CHRM1
SCHEMBL6962539 0.68 ADRA1A (0.45) DPP4CTSLCTSBCTSKOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475530-B Aminoacyl indazole immunomodulators for treating autoimmune diseases 洛克菲勒大学 2022-03-01 CN disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
CN-109475530-A For treating the aminoacyl indazole immunomodulator of autoimmune disease 洛克菲勒大学 2019-03-15 CN disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO 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 (1 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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI DPP4 326/4885CTSL 1557/4885CTSB 1598/4885

“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.