SCHEMBL3133874

SCHEMBL3133874

c1ccc(Nc2cc3c4c(c2)[C@H]2CNC[C@H]2CN4CCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 2/20 0.33
ALOX15 P16050 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3135485 1.00 BPTF (0.36) BPTFALDH1A1MAPTLMNAKDM4E
SCHEMBL3137953 0.93 MAPT (0.39) BPTFALDH1A1MAPTLMNAKDM4E
SCHEMBL13268810 0.93 MAPT (0.39) BPTFALDH1A1MAPTLMNAKDM4E
SCHEMBL3130201 0.89 ALDH1A1 (0.34) BPTFALDH1A1MAPTLMNAKDM4E
SCHEMBL3134654 0.89 HTT (0.38) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL3138161 0.87 MAPT (0.31) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL3138006 0.86 KIF11 (0.37) HTR2CCHRNB4CHRNA3
SCHEMBL3134966 0.86 USP2 (0.37) HTR2CALOX15USP2CASP1CASP7
SCHEMBL3137718 0.86 KIF11 (0.42) MAPTHTR2C
SCHEMBL3133684 0.86 HTR2C (0.34) ALDH1A1MAPTHTR2CCYP3A4SMN1; SMN2

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 5 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-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 BPTF 3017/4885ALDH1A1 2874/4885MAPT 3299/4885

“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.