SCHEMBL6505194

SCHEMBL6505194

CN1CC[C@H]2[C@@H](C1)c1cc(Nc3cccc(C(F)(F)F)c3F)cc3c1N2CCOC3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
SLC6A4 P31645 1/20 0.32
EGFR P00533 1/20 0.32
CCR3 P51677 4/20 0.32
HTR6 P50406 2/20 0.31
HTR2B P41595 2/20 0.31
EPHX2 P34913 1/20 0.31
HTR1D P28221 2/20 0.30
HTR1B P28222 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL6502381 0.90 CNR2 (0.35) CNR2EGFRHTR2BHTR1ADRD3
SCHEMBL6501706 0.90 HTR2A (0.35) CNR2HTR2AHTR2CSLC6A4CCR3
SCHEMBL6502643 0.87 CCR3 (0.34) CNR2HTR2AHTR2CSLC6A4CCR3
SCHEMBL6492084 0.85 SIGMAR1 (0.34) CNR2HTR2AHTR2CSLC6A4CCR3
SCHEMBL6499878 0.85 HTR2C (0.41) CNR2HTR2AHTR2CEGFRHTR2B
SCHEMBL6500561 0.85 HTR2C (0.41) CNR2HTR2AHTR2CEGFRHTR2B
SCHEMBL6504394 0.81 HTR2A (0.31) MAPTHTR2AHTR2CSLC6A4HTR2B
SCHEMBL6783931 0.77 HTR2C (0.42) MAPTLMNAHTR2AHTR2CSLC6A4
SCHEMBL6785120 0.72 HTR2C (0.40) HTR2AHTR2CSLC6A4HTR2B
SCHEMBL6783840 0.70 HTR2C (0.43) POLBHTR2AHTR2CHTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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 (2 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 CNR2 28/4885MAPT 3760/4885LMNA 2542/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 CNR2 28/4885MAPT 3760/4885LMNA 2542/4885

“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.