SCHEMBL4485142

SCHEMBL4485142

COc1cccc2c1N(C)C(=O)C1CN(C(=O)O)CC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TSHR P16473 2/20 0.36
POLL Q9UGP5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HTR1A P08908 3/20 0.36
DRD4 P21917 3/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
DRD3 P35462 3/20 0.36
HTR2B P41595 3/20 0.36
HTR1D P28221 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL4481078 0.85 PDE4B (0.46) AADATKDM4E
SCHEMBL4466314 0.78 POLB (0.40) MEN1KMT2ASMN1; SMN2TSHRPOLL
SCHEMBL4479966 0.72 MDM4 (0.42) MEN1KMT2ASMN1; SMN2KDM4EHTR2B
SCHEMBL3654555 0.69 MEN1 (0.40) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL4482309 0.68 RORC (0.47) AADATKDM4EHTR2AHTR2CHTR2B
SCHEMBL1805481 0.68 HTR1A (0.41) MEN1KMT2ASMN1; SMN2KDM4EHTR1A
SCHEMBL1805477 0.68 HTR1A (0.41) MEN1KMT2ASMN1; SMN2KDM4EHTR1A
SCHEMBL1805478 0.68 HTR1A (0.41) MEN1KMT2ASMN1; SMN2KDM4EHTR1A
SCHEMBL4481488 0.65 ALDH1A1 (0.34) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL29434326 0.65 MEN1 (0.47) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A4

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 AADAT 952/4885MEN1 2995/4885KMT2A 2922/4885

“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.