SCHEMBL3134900

SCHEMBL3134900

Cc1ccccc1CNc1cc2c3c(c1)[C@@H]1CNC[C@@H]1CN3CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 5/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3131298 0.93 MAPT (0.32) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3136968 0.89 MEN1 (0.49) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL3140706 0.88 MEN1 (0.33) KMT2AMEN1MAPTL3MBTL1KDM4E
SCHEMBL13269974 0.86 CHRNB2 (0.38) DRD1HTR2AKMT2AMEN1MAPT
SCHEMBL3133200 0.86 CHRNB2 (0.38) DRD1HTR2AKMT2AMEN1MAPT
SCHEMBL3132831 0.86 GAA (0.40) HTR2APOLBKDM4EALDH1A1GAA
SCHEMBL3141671 0.85 PIK3CA (0.36) POLBMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL3138303 0.85 EPHX2 (0.36) KMT2AMEN1MAPTL3MBTL1KDM4E
SCHEMBL3133779 0.84 MAPT (0.48) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL13268749 0.83 ALDH1A1 (0.41) KMT2AMEN1HRH4HRH3MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1399445-B9 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
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
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 DRD1 49/4885HTR2A 13/4885KMT2A 1963/4885

“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.