SCHEMBL7375338

SCHEMBL7375338

O=C[C@H](Cc1ccccc1)NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 13/20 0.67
▸ CHRNB2 P17787 2/20 0.55
▸ CHRNB4 P30926 2/20 0.55
▸ CHRNA3 P32297 2/20 0.55
▸ CHRNA4 P43681 2/20 0.55
▸ ACE P12821 1/20 0.49
▸ TACR2 P21452 1/20 0.47

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
SCHEMBL7377270 1.00 CAPN1 (0.67) CAPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19248290 0.83 CAPN1 (0.71) CAPN1ACE
SCHEMBL6534463 0.82 TACR3 (0.60) CAPN1TACR2
SCHEMBL6534466 0.82 TACR3 (0.60) CAPN1TACR2
SCHEMBL24862871 0.82 CAPN1 (0.73) CAPN1
SCHEMBL24862869 0.82 CAPN1 (0.69) CAPN1
SCHEMBL24862946 0.82 CAPN1 (0.69) CAPN1
SCHEMBL24863043 0.82 CAPN1 (0.69) CAPN1ACE
SCHEMBL7786977 0.81 CAPN1 (1.00) CAPN1ACE
SCHEMBL7787032 0.81 CAPN1 (1.00) CAPN1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 — — US disclosed
WO-2007081530-A2 ENDOLUMINAL MEDICAL DEVICE FOR LOCAL DELIVERY OF CATHEPSIN INHIBITORS MED INSTITUTE, INC. (US) 2007-07-19 — — WO disclosed
US-6251917-B1 Benzamidoaldehydes and their use as cysteine protease inhibitors BASF AKTIENGESELLSCHAFT (DE) 2001-06-26 — — US disclosed
EP-0944584-A1 BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 — — EP disclosed
WO-1998023581-A1 BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-06-04 — — 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-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating CTSS, CTSD, CTSV CAPN1 219/4885CHRNB2 3556/4885CHRNB4 3970/4885

“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.

Send feedback