SCHEMBL4413069

SCHEMBL4413069

O=S(=O)(c1ccccc1)N1CC2CC1CN2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.44
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
MMP2 P08253 1/20 0.42
PARL Q9H300 1/20 0.42
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42

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
SCHEMBL30121385 1.00 HSD11B1 (0.70) HSD11B1L3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL31471935 0.91 HSD11B1 (0.67) HSD11B1L3MBTL1ALDH1A1MMP2PARL
SCHEMBL4405981 0.86 HSD11B1 (0.69) HSD11B1L3MBTL1CHRNB2CHRNA4MMP2
SCHEMBL10231078 0.83 HSD11B1 (0.61) HSD11B1ALDH1A1KMT2ATSHR
SCHEMBL31471844 0.83 HSD11B1 (0.61) HSD11B1L3MBTL1KMT2ACHRNB2CHRNA4
SCHEMBL31471901 0.83 HSD11B1 (0.61) HSD11B1ALDH1A1KMT2ATSHR
SCHEMBL12786804 0.83 HSD11B1 (1.00) HSD11B1ALDH1A1
SCHEMBL12786753 0.83 HSD11B1 (1.00) HSD11B1ALDH1A1
SCHEMBL4403548 0.83 HSD11B1 (0.64) HSD11B1L3MBTL1CHRNB2CHRNA4
SCHEMBL1618372 0.83 HSD11B1 (0.61) HSD11B1ALDH1A1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025100889-A1 QUINAZOLINE DERIVATIVE, SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2025-05-15 WO disclosed
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 US disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 HSD11B1 828/4885L3MBTL1 2917/4885ALDH1A1 1742/4885

“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.