SCHEMBL6501085

SCHEMBL6501085

O=C(O)N1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCOC3

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.41
HTR2A P28223 11/20 0.41
CCR3 P51677 8/20 0.41
HTR1A P08908 2/20 0.40
DRD4 P21917 2/20 0.40
SLC6A4 P31645 1/20 0.40
DRD2 P14416 6/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL6492716 1.00 HTR2C (0.41) HTR2CHTR2ACCR3HTR1ADRD4
SCHEMBL5421689 0.84 CCR3 (0.54) HTR2CHTR2ACCR3HTR1ADRD4
SCHEMBL5421686 0.84 CCR3 (0.54) HTR2CHTR2ACCR3HTR1ADRD4
SCHEMBL6500634 0.84 USP30 (0.45) HTR2CHTR2ACCR3
SCHEMBL6500633 0.84 USP30 (0.45) HTR2CHTR2ACCR3
SCHEMBL5415823 0.82 HTR2A (0.56) HTR2CHTR2ACCR3HTR1ADRD4
SCHEMBL5415822 0.82 HTR2A (0.56) HTR2CHTR2ACCR3HTR1ADRD4
SCHEMBL6490580 0.82 DRD2 (0.34) HTR2CHTR2ACCR3DRD2
SCHEMBL6494306 0.82 HTR2A (0.36) HTR2CHTR2ADRD2
SCHEMBL6810428 0.82 DRD2 (0.34) HTR2CHTR2ACCR3DRD2

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