SCHEMBL3137953

SCHEMBL3137953

c1ccc(Nc2cc3c4c(c2)[C@H]2CNC[C@H]2CN4CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BPTF Q12830 1/20 0.38
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HTR2C P28335 2/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 2/20 0.31
XIAP P98170 1/20 0.31
CHRNB2 P17787 1/20 0.30

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
SCHEMBL13268810 1.00 MAPT (0.39) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3133874 0.93 BPTF (0.36) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3135485 0.93 BPTF (0.36) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3131283 0.84 GRIN2D (0.40) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3130201 0.82 ALDH1A1 (0.34) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3134654 0.82 HTT (0.38) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL13270031 0.81 HTR2C (0.39) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3131320 0.81 HTR2C (0.39) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3134966 0.80 USP2 (0.37) ALOX15HTR2CCHRNB4CHRNA3CHRNB2
SCHEMBL3138006 0.80 KIF11 (0.37) HTR2CCHRNB4CHRNA3

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 1648/4885ALDH1A1 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.