SCHEMBL4480273

SCHEMBL4480273

CCCc1cc(Cl)c(C(=O)OCC)c([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ADORA1 P30542 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.39
F10 P00742 3/20 0.37
PRSS1 P07477 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4480268 1.00 USP30 (0.42) USP30LMNAMAPTMEN1ADORA1
SCHEMBL4480859 0.92 MAPT (0.41) USP30LMNAMAPTMEN1ADORA1
SCHEMBL5573343 0.85 DPP4 (0.35) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL4458668 0.80 PDE4B (0.46) LMNAMEN1ADORA1KMT2ASMN1; SMN2
SCHEMBL6315523 0.76 DPP4 (0.61) MEN1KMT2AF10PRSS1
SCHEMBL31450059 0.75 USP30 (0.50) USP30SMN1; SMN2KDM4EALDH1A1
SCHEMBL13041175 0.75 S1PR1 (0.46) F10PRSS1
SCHEMBL3436382 0.75 S1PR1 (0.46) F10PRSS1
SCHEMBL23239708 0.75 S1PR1 (0.47)
SCHEMBL23215006 0.75 S1PR1 (0.47)

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-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B USP30 4402/4885LMNA 3051/4885MAPT 3883/4885

“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.