SCHEMBL4479966

SCHEMBL4479966

COc1cccc2c1NCC1CN(C(=O)O)CC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MASP2 O00187 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAPDH P04406 1/20 0.39
POLB P06746 1/20 0.39
HSPA1A P0DMV8 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HSPA8 P11142 1/20 0.39
HPGD P15428 1/20 0.39
JUND P17535 1/20 0.39
TNNI3 P19429 1/20 0.39
APEX1 P27695 1/20 0.39
PTPN7 P35236 1/20 0.39
TNNT2 P45379 1/20 0.39
RECQL P46063 1/20 0.39
FOSB P53539 1/20 0.39
BLM P54132 1/20 0.39
UBE2N P61088 1/20 0.39

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
SCHEMBL4246712 0.85 PDE4B (0.45) MDM4KDM4E
SCHEMBL4479996 0.84 CHRNB2 (0.35) ALDH1A1MEN1KMT2ACHRNA4HCRTR1
SCHEMBL4481794 0.81 ERN1 (0.40) KDM4EALDH1A1RECQLTDP1CHRNA4
SCHEMBL4466314 0.79 POLB (0.40) KDM4EMASP2ALDH1A1GAPDHPOLB
SCHEMBL1805478 0.74 HTR1A (0.41) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL1805477 0.74 HTR1A (0.41) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL1805481 0.74 HTR1A (0.41) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL4244437 0.73 HTR2C (0.40) MDM4KDM4EMASP2ALDH1A1GAPDH
SCHEMBL13627308 0.73 HTR2C (0.40) MDM4KDM4EMASP2ALDH1A1GAPDH
SCHEMBL4477657 0.73 HTR2C (0.40) MDM4KDM4EMASP2ALDH1A1GAPDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US disclosed
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, HTR3B, HTR2C, HTR2B MDM4 4811/4885KDM4E 2451/4885MASP2 4112/4885

“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.