SCHEMBL3132928

SCHEMBL3132928

c1ccc2c(Nc3cc4c5c(c3)[C@@H]3CNC[C@@H]3CN5CCC4)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP3A4 P08684 3/20 0.34
ALOX15 P16050 2/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 1/20 0.34
CDC25B P30305 1/20 0.34
ATM Q13315 1/20 0.34
FADS1 O60427 1/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
ULK1 O75385 1/20 0.33
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 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
SCHEMBL3133662 0.87 MAPT (0.30) HPGDALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3136192 0.85 HCRTR1 (0.32) ALDH1A1HSD17B10ALOX15ATMSMN1; SMN2
SCHEMBL3133874 0.85 BPTF (0.36) HPGDALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3135485 0.85 BPTF (0.36) HPGDALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3136351 0.85 HTR2C (0.33) HPGDALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3137881 0.85 HTR2C (0.33) HPGDALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3127447 0.85 MAPT (0.33) HPGDALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3136344 0.85 HTR2C (0.33) HPGDALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3130201 0.84 ALDH1A1 (0.34) HPGDALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL3136866 0.84 HTR2A (0.36) ALDH1A1TP53MAPTSMN1; SMN2LMNA

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 HPGD 2295/4885ALDH1A1 2874/4885HSD17B10 4219/4885

“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.