SCHEMBL6501706

SCHEMBL6501706

CCN1CC[C@H]2[C@@H](C1)c1cc(Nc3cccc(C(F)(F)F)c3F)cc3c1N2CCOC3

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.35
HTR2C P28335 8/20 0.35
SLC6A4 P31645 2/20 0.35
CCR3 P51677 8/20 0.35
CNR2 P34972 1/20 0.33
DRD2 P14416 4/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
HTR1A P08908 1/20 0.32
DRD4 P21917 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 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
SCHEMBL6502643 0.90 CCR3 (0.34) HTR2AHTR2CSLC6A4CCR3CNR2
SCHEMBL6492084 0.90 SIGMAR1 (0.34) HTR2AHTR2CSLC6A4CCR3CNR2
SCHEMBL6505194 0.90 CNR2 (0.34) HTR2AHTR2CSLC6A4CCR3CNR2
SCHEMBL6502381 0.87 CNR2 (0.35) CNR2HTR1A
SCHEMBL6499878 0.83 HTR2C (0.41) HTR2AHTR2CCNR2
SCHEMBL6500561 0.83 HTR2C (0.41) HTR2AHTR2CCNR2
SCHEMBL6783931 0.75 HTR2C (0.42) HTR2AHTR2CSLC6A4
SCHEMBL6785120 0.71 HTR2C (0.40) HTR2AHTR2CSLC6A4
SCHEMBL6504394 0.71 HTR2A (0.31) HTR2AHTR2CSLC6A4DRD2HTR1A
SCHEMBL6783840 0.69 HTR2C (0.43) HTR2AHTR2C

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 HTR2A 21/4885HTR2C 11/4885SLC6A4 35/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2A 21/4885HTR2C 11/4885SLC6A4 35/4885

“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.