SCHEMBL7224012

SCHEMBL7224012

CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cc(-c3ccc(C(=O)O)cc3)ccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN6 P29350 1/20 0.54
USP30 Q70CQ3 1/20 0.49
KMT2A Q03164 1/20 0.48
EPHX2 P34913 1/20 0.48
GPR119 Q8TDV5 8/20 0.48
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
WNT3A P56704 1/20 0.46
P2RY14 Q15391 1/20 0.45
HDAC1 Q13547 1/20 0.45
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
STS P08842 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7229781 0.92 PTPN2 (0.53) PTPN2PTPN1PTPN6USP30KMT2A
SCHEMBL7229830 0.80 HDAC1 (0.47) HDAC1NPC1RAB9A
SCHEMBL7222530 0.77 HDAC1 (0.43) PTPN2PTPN1PTPN6KMT2AGPR119
SCHEMBL17048460 0.75 GAA (0.59) KMT2APKM
SCHEMBL17104852 0.75 GAA (0.59) KMT2APKM
SCHEMBL894253 0.73 ALDH1A1 (0.53) USP30KMT2ANPC1KDM4E
SCHEMBL12804554 0.73 NPSR1 (0.68) PTPN2PTPN1PTPN6EPHX2GPR119
SCHEMBL16310761 0.73 USP30 (0.48) USP30KDM4EPKM
SCHEMBL16291425 0.73 USP30 (0.48) USP30KDM4EPKM
SCHEMBL1437846 0.73 EPHX2 (0.50) PTPN2PTPN1PTPN6KMT2AEPHX2

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
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 PTPN2 4180/4885PTPN1 3829/4885PTPN6 4134/4885

“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.