SCHEMBL4477657

SCHEMBL4477657

COc1cccc2c1NC[C@@H]1CNC[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.40
HTR1A P08908 4/20 0.38
HTR1D P28221 2/20 0.38
HTR7 P34969 2/20 0.38
HTR5A P47898 2/20 0.38
HSD11B1 P28845 1/20 0.38
HTR2B P41595 3/20 0.36
HTR2A P28223 2/20 0.36
MDM4 O15151 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MASP2 O00187 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAPDH P04406 1/20 0.34
POLB P06746 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL13627308 1.00 HTR2C (0.40) HTR2CHTR1AHTR1DHTR7HTR5A
SCHEMBL4244437 1.00 HTR2C (0.40) HTR2CHTR1AHTR1DHTR7HTR5A
SCHEMBL13627321 0.80 HTR2C (0.47) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL4246700 0.80 HTR2C (0.47) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL4250357 0.78 HTR2C (0.38) HTR2C
SCHEMBL13627312 0.78 HTR2C (0.38) HTR2C
SCHEMBL4248280 0.77 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A4RECQL
SCHEMBL13627309 0.77 HTR2C (0.41) HTR2CHTR2BHTR2ASLC6A4RECQL
SCHEMBL8136238 0.75 HSD11B1 (0.59) HTR1AHSD11B1
SCHEMBL4249176 0.75 HTR2C (0.43) HTR2CHTR1AHTR1DHTR7HTR5A

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 HTR2C 2/4885HTR1A 7/4885HTR1D 14/4885

“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.