SCHEMBL4482788

SCHEMBL4482788

COc1cc(Nc2ccc(Cl)cc2Cl)cc2c1N(C)C[C@@H]1CNC[C@H]21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
HTR2C P28335 3/20 0.36
SRC P12931 6/20 0.35
PDGFRB P09619 1/20 0.35
ABL1 P00519 2/20 0.33
ABL2 P42684 1/20 0.33
CSF1R P07333 2/20 0.33
GAK O14976 2/20 0.32
P2RX7 Q99572 1/20 0.32
RIPK2 O43353 1/20 0.32
COQ8A Q8NI60 1/20 0.32
NLK Q9UBE8 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 1/20 0.32
BCR P11274 1/20 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
SCHEMBL4482987 1.00 EPHA2 (0.37) EPHA2KDREPHB4HTR2CSRC
SCHEMBL13627344 1.00 EPHA2 (0.37) EPHA2KDREPHB4HTR2CSRC
SCHEMBL4489439 0.87 HTR2C (0.38) HTR2CCNR2
SCHEMBL13627333 0.87 HTR2C (0.38) HTR2CCNR2
SCHEMBL4477909 0.84 P2RX7 (0.38) HTR2CP2RX7KDM4E
SCHEMBL13627347 0.84 P2RX7 (0.38) HTR2CP2RX7KDM4E
SCHEMBL4480936 0.84 P2RX7 (0.38) HTR2CP2RX7KDM4E
SCHEMBL4482834 0.81 BRAF (0.34) PDGFRBKDM4E
SCHEMBL13627342 0.81 BRAF (0.34) PDGFRBKDM4E
SCHEMBL13627343 0.79 EGFR (0.36) HTR2CP2RX7EGFRKDM4E

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 EPHA2 3210/4885KDR 3146/4885EPHB4 2178/4885

“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.