SCHEMBL3127973

SCHEMBL3127973

Cc1ccccc1-c1cc2c3c(c1)[C@@H]1CNC[C@@H]1CN3CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.34
BPTF Q12830 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 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
SCHEMBL3129986 0.86 HTR2C (0.50) HTR2CHTR2AHTR2BDRD2DRD1
SCHEMBL13270207 0.86 HTR2C (0.50) HTR2CHTR2AHTR2BDRD2DRD1
SCHEMBL3141689 0.85 BPTF (0.38) HTR2CHTR2AHTR2BBPTFMAPT
SCHEMBL13270205 0.85 BPTF (0.38) HTR2CHTR2AHTR2BBPTFMAPT
SCHEMBL3140260 0.85 CYP11B2 (0.39) HTR2CHTR2AHTR2BMEN1ALOX15
SCHEMBL3136487 0.85 HTR2A (0.49) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL3136492 0.85 HTR2A (0.49) HTR2CHTR2AHTR2BALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6852365 0.84 BPTF (0.38) HTR2CHTR2AHTR2BBPTFMAPT
SCHEMBL3137683 0.84 HTR2C (0.36) HTR2CHTR2AHTR2BDRD2MAPT
SCHEMBL3127409 0.83 PTPN11 (0.39) HTR2CHTR2AHTR2B

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 HTR2C 8/4885HTR2A 13/4885HTR2B 2/4885

“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.