SCHEMBL3133623

SCHEMBL3133623

CC(C)(C)OC(=O)N1CCCc2cccc(C=O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 1/20 0.39
UCHL1 P09936 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM1A O60341 2/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RIPK1 Q13546 1/20 0.36
CTSK P43235 1/20 0.36
MPO P05164 1/20 0.36
ESR2 Q92731 1/20 0.36
P2RX1 P51575 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3127248 0.92 NOTUM (0.42) L3MBTL1NOTUMUCHL1MAPK1KDM1A
SCHEMBL30616694 0.92 NOTUM (0.42) L3MBTL1NOTUMUCHL1MAPK1KDM1A
SCHEMBL3503719 0.84 ESR2 (0.38) L3MBTL1NOTUMUCHL1MEN1KMT2A
SCHEMBL3133344 0.84 L3MBTL1 (0.40) L3MBTL1NOTUMUCHL1SMN1; SMN2TSHR
SCHEMBL3133353 0.84 L3MBTL1 (0.40) L3MBTL1NOTUMUCHL1SMN1; SMN2TSHR
SCHEMBL16593635 0.83 NOTUM (0.41) L3MBTL1NOTUMUCHL1SMN1; SMN2TSHR
SCHEMBL6108617 0.83 P2RX1 (0.50) L3MBTL1NOTUMUCHL1SMN1; SMN2TSHR
SCHEMBL3127229 0.81 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3127218 0.81 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31139409 0.81 MEN1 (0.46) L3MBTL1NOTUMSMN1; SMN2TSHRMEN1

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 6 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
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 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 (2 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 L3MBTL1 3833/4885NOTUM 1352/4885UCHL1 2478/4885
US-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS HTR1B, HTR2B, HTR1A L3MBTL1 3740/4885NOTUM 3618/4885UCHL1 4663/4885

“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.