SCHEMBL4478593

SCHEMBL4478593

O=C1Nc2c(cccc2C(F)(F)F)C2CN(C(=O)O)CC12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.40
HSPA1A P0DMV8 1/20 0.40
HSPA8 P11142 1/20 0.40
PTPN7 P35236 1/20 0.40
KMT2A Q03164 1/20 0.40
RBP4 P02753 5/20 0.40
CES1 P23141 1/20 0.37
PDE7A Q13946 1/20 0.36
HTR2C P28335 10/20 0.36
HTR2B P41595 10/20 0.36
HTR2A P28223 8/20 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
SCHEMBL4482441 0.84 ALDH1A1 (0.48) ALDH1A1
SCHEMBL4473055 0.84 ALDH1A1 (0.48) ALDH1A1
SCHEMBL4473052 0.84 ALDH1A1 (0.48) ALDH1A1
SCHEMBL4493838 0.84 ALDH1A1 (0.48) ALDH1A1
SCHEMBL4494774 0.81 DDB1 (0.34) ALDH1A1MEN1KMT2APDE7AHTR2C
SCHEMBL13637321 0.80 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL4492914 0.80 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL4481729 0.80 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL13627302 0.80 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL4492909 0.80 ALDH1A1 (0.43) ALDH1A1KMT2A

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 ALDH1A1 3212/4885MEN1 2995/4885HSPA1A 4296/4885

“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.