SCHEMBL7434767

SCHEMBL7434767

O=C(O)C1(Nc2cccc(-c3ccc(N4CCNCC4)cc3)c2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.49
CTSB P07858 4/20 0.49
CTSS P25774 4/20 0.49
CTSK P43235 12/20 0.47
HTR1A P08908 3/20 0.46
HTR7 P34969 3/20 0.46
POLB P06746 1/20 0.43
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4699482 0.83 CTSL (0.68) CTSLCTSBCTSSCTSK
SCHEMBL4698845 0.72 CTSL (0.75) CTSLCTSBCTSSCTSK
SCHEMBL6208594 0.70 CTSL (0.45) CTSLCTSBCTSSCTSKHTR7
SCHEMBL3954627 0.69 CYP1A2 (0.61) CTSKPOLBALDH1A1CYP1A2
SCHEMBL1359864 0.69 ADRB1 (0.76) HTR1AHTR7USP2ALDH1A1TSHR
SCHEMBL6991463 0.69 TSHR (0.51) USP2ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL6989644 0.67 ALDH1A1 (0.51) USP2ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL3210914 0.67 CYP1A2 (0.51) CTSKPOLBUSP2ALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL5265518 0.67 USP2 (0.59) CTSLCTSBCTSSCTSKHTR1A
Hydrochloric Acid SCHEMBL2991144 0.67 CYP1A2 (0.61) CTSKALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-10-24 US disclosed
WO-2002080920-A1 ARYLACETAMIDO-KETOBENZOXAZOLE AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-10-17 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-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors SERPINB1, SPINT2, PRSS1 CTSL 34/4885CTSB 17/4885CTSS 20/4885

“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.