SCHEMBL3136192

SCHEMBL3136192

Cc1ccc2ccccc2c1Nc1cc2c3c(c1)[C@@H]1CNC[C@@H]1CN3CCC2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
BRCA1 P38398 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3133662 0.85 MAPT (0.30) MEN1ALDH1A1ALOX15KMT2AHSD17B10
SCHEMBL3132928 0.85 HPGD (0.34) MEN1ALDH1A1LMNAGAAALOX15
SCHEMBL3130201 0.83 ALDH1A1 (0.34) MEN1ALDH1A1LMNAGAAALOX15
SCHEMBL3137671 0.82 MAPT (0.33) MEN1NPC1ALDH1A1LMNAALOX15
SCHEMBL3135485 0.82 BPTF (0.36) MEN1NPC1USP2ALDH1A1LMNA
SCHEMBL3133874 0.82 BPTF (0.36) MEN1NPC1USP2ALDH1A1LMNA
SCHEMBL3137911 0.81 TP53 (0.36) ALDH1A1GAA
SCHEMBL3127753 0.80 HTR2C (0.34) MEN1ALDH1A1ALOX15KMT2AHSD17B10
SCHEMBL3127447 0.80 MAPT (0.33) MEN1ALDH1A1ALOX15KMT2AHSD17B10
SCHEMBL3138161 0.80 MAPT (0.31) MEN1ALDH1A1ALOX15KMT2AHSD17B10

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 HCRTR1 66/4885HCRTR2 122/4885MEN1 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.