SCHEMBL3137963

SCHEMBL3137963

CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc2c1N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CCR8 P51685 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3137956 1.00 USP30 (0.41) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL3140587 0.92 F10 (0.38) L3MBTL1
SCHEMBL3140581 0.92 F10 (0.38) L3MBTL1
SCHEMBL1896746 0.77 USP30 (0.51) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL5840240 0.75 L3MBTL1 (0.49) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL29960364 0.74 MEN1 (0.49) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL31450059 0.74 USP30 (0.50) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL29960489 0.74 TBXA2R (0.51) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL1897016 0.74 USP30 (0.50) USP30SIGMAR1L3MBTL1ATMALDH1A1
SCHEMBL1809109 0.73 L3MBTL1 (0.41) USP30SIGMAR1L3MBTL1ATMALDH1A1

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
EP-1399445-B9 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
EP-1399445-B1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-08-05 EP disclosed
US-6777406-B2 SUCH AS PYRIDO(3,2,1-IJ)PYRROLO(3,4-C)QUINOLIN-8-ONE DERI-VATIVES; CENTRAL NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-17 US disclosed
US-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2004-05-13 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-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS HTR1B, HTR2B, HTR1A USP30 4353/4885SIGMAR1 293/4885L3MBTL1 3740/4885

“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.