SCHEMBL6504287

SCHEMBL6504287

O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCSC3)c1ccc(F)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.80
HTR2C P28335 16/20 0.80
CCR3 P51677 1/20 0.80
SLC6A4 P31645 3/20 0.78
HTR1A P08908 2/20 0.78
DRD4 P21917 2/20 0.78
DRD2 P14416 2/20 0.72
DRD1 P21728 1/20 0.69
ADRA1A P35348 1/20 0.69
ADRA1B P35368 1/20 0.69

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
SCHEMBL5847647 0.89 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL5405231 0.89 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL5414990 0.88 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL5413086 0.88 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL5408719 0.87 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL5408725 0.87 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL5405391 0.87 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL5638434 0.86 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL5636849 0.86 HTR2A (1.00) HTR2AHTR2CCCR3SLC6A4HTR1A
SCHEMBL19565643 0.85 HTR2A (0.79) HTR2AHTR2CCCR3SLC6A4HTR1A

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 11/4885CCR3 3424/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2A 21/4885HTR2C 11/4885CCR3 3424/4885

“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.