SCHEMBL3133779

SCHEMBL3133779

COc1cccc(CNc2cc3c4c(c2)[C@@H]2CNC[C@@H]2CN4CCC3)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
NPC1 O15118 3/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 3/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 3/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 2/20 0.37
CRHBP P24387 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
SCHEMBL3136968 0.93 MEN1 (0.49) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL3131298 0.84 MAPT (0.32) MAPTKDM4EALDH1A1ALOX15MEN1
SCHEMBL3136164 0.84 ALDH1A1 (0.49) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL3134900 0.84 DRD1 (0.35) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL3138303 0.84 EPHX2 (0.36) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL3141671 0.82 PIK3CA (0.36) MAPTKDM4EALDH1A1L3MBTL1HTT
SCHEMBL3140706 0.82 MEN1 (0.33) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL3136452 0.81 MAPK14 (0.37) MAPTKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL13268749 0.80 ALDH1A1 (0.41) MAPTKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL3127185 0.80 ALDH1A1 (0.41) MAPTKDM4EALDH1A1MAPK1L3MBTL1

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 MAPT 3299/4885KDM4E 1648/4885ALDH1A1 2874/4885

“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.