SCHEMBL3140285

SCHEMBL3140285

CN1C[C@H]2CN3CCc4cccc(c43)[C@H]2C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.80
KDM4E B2RXH2 1/20 0.80
MEN1 O00255 1/20 0.80
ALDH1A1 P00352 1/20 0.80
CYP1A2 P05177 1/20 0.80
CYP3A4 P08684 1/20 0.80
HPGD P15428 1/20 0.80
ALOX15 P16050 1/20 0.80
KMT2A Q03164 1/20 0.80
HSD17B10 Q99714 1/20 0.80
SIGMAR1 Q99720 3/20 0.44
HTR2C P28335 4/20 0.44
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 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
SCHEMBL3130163 0.92 MAPT (0.67) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3135470 0.92 MAPT (0.67) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3130170 0.92 MAPT (0.67) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL13270204 0.92 MAPT (0.67) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9694045 0.89 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL5926116 0.89 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL13073064 0.89 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL31077417 0.89 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8269669 0.89 MAPT (1.00) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3138381 0.81 MAPT (0.85) MAPTKDM4EMEN1ALDH1A1CYP1A2

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 MAPT 3299/4885KDM4E 1648/4885MEN1 1179/4885

“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.