SCHEMBL6094967

SCHEMBL6094967

CCC1C=CC=CC1(O)NC(=O)[C@@H]1CC(=NOCc2ccc(Cl)c(Cl)c2)CN1C(=O)COc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 1/20 0.33
FFAR1 O14842 4/20 0.32
CCR1 P32246 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR1 P21453 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
S1PR5 Q9H228 1/20 0.32
GLP1R P43220 6/20 0.32
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
PTPN1 P18031 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL6094964 0.76 TDP1 (0.43) L3MBTL1TDP1MMP1MMP3MMP7
SCHEMBL4938817 0.76 TDP1 (0.43) L3MBTL1TDP1MMP1MMP3MMP7
SCHEMBL5479506 0.76 OXTR (0.47) L3MBTL1TDP1MMP1MMP3MMP7
SCHEMBL4940074 0.71 OPRK1 (0.39) SIGMAR1
SCHEMBL4940085 0.71 OPRK1 (0.39) SIGMAR1
SCHEMBL4942355 0.69 MCHR1 (0.36) TDP1SIGMAR1
SCHEMBL4942360 0.69 MCHR1 (0.36) TDP1SIGMAR1
SCHEMBL6969682 0.67 MCHR1 (0.38) MMP1MMP3MMP7MMP13SMN1; SMN2
SCHEMBL6977855 0.67 MCHR1 (0.38) MMP1MMP3MMP7MMP13SMN1; SMN2
SCHEMBL4944181 0.67 MCHR1 (0.38) MMP1MMP3MMP7MMP13SMN1; SMN2

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-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US 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-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS L3MBTL1 3709/4885TDP1 2479/4885MMP1 4354/4885

“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.