SCHEMBL3138404

SCHEMBL3138404

CC(C)(C)OC(=O)N1CCC2C(=O)N3CCCc4cccc(c43)C2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
LIPE Q05469 2/20 0.41
KDM1A O60341 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP30 Q70CQ3 4/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
GPR119 Q8TDV5 3/20 0.39
MAPK1 P28482 1/20 0.38
NAMPT P43490 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
SCHEMBL3135515 0.93 USP30 (0.43) DDB1CRBNLIPEKDM1ANPC1
SCHEMBL3136411 0.93 USP30 (0.43) DDB1CRBNLIPEKDM1ANPC1
SCHEMBL3141712 0.86 USP30 (0.45) DDB1CRBNLIPEKDM1AUSP30
SCHEMBL3140288 0.81 MAPT (0.52) DDB1CRBNNPC1RAB9AGPR119
SCHEMBL5407746 0.80 HTR2A (0.51) NPC1RAB9A
SCHEMBL5407748 0.80 HTR2A (0.51) NPC1RAB9A
SCHEMBL3133799 0.76 MAPT (0.46) DDB1CRBNLIPENPC1RAB9A
SCHEMBL3138291 0.76 MAPT (0.46) DDB1CRBNLIPENPC1RAB9A
SCHEMBL3133792 0.76 MAPT (0.46) DDB1CRBNLIPENPC1RAB9A
SCHEMBL5848240 0.76 GPR119 (0.42) DDB1CRBNUSP30GPR119

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 DDB1 4604/4885CRBN 3914/4885LIPE 1628/4885

“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.