SCHEMBL4479996

SCHEMBL4479996

Cc1cccc2c1NCC1CN(C(=O)O)CC21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
F12 P00748 9/20 0.32
KIF11 P52732 2/20 0.32
GRIN2B Q13224 1/20 0.32
F2 P00734 2/20 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
SCHEMBL4479966 0.84 MDM4 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4245207 0.83 USP30 (0.41)
SCHEMBL4482316 0.80 CHRNA4 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4494774 0.77 DDB1 (0.34) HTR2AHTR2CHTR2BMEN1ALDH1A1
SCHEMBL861429 0.75 PARP3 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4481488 0.75 ALDH1A1 (0.34) HTR2AHTR2CHCRTR1HCRTR2MEN1
SCHEMBL1806294 0.72 F12 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1807004 0.72 HSD11B1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1807008 0.72 HSD11B1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1806296 0.72 F12 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 CHRNB2 929/4885CHRNB4 701/4885CHRNA3 250/4885

“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.