SCHEMBL6502847

SCHEMBL6502847

N#Cc1ccc(-c2cc3c4c(c2)[C@@H]2CN(C(=O)O)CC[C@@H]2N4CCSC3)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM1A O60341 3/20 0.37
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
SLC9A1 P19634 2/20 0.34
KCNH2 Q12809 1/20 0.34
AR P10275 4/20 0.34
RBP4 P02753 4/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CCR3 P51677 1/20 0.33
CYP2D6 P10635 1/20 0.32
OPRK1 P41145 1/20 0.32
SSTR4 P31391 1/20 0.32
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
SMO Q99835 1/20 0.31

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
SCHEMBL6782509 0.83 HTR2C (0.57) HTR2AHTR2CHTR2BAR
SCHEMBL5418222 0.78 HTR2B (0.43) HTR2AHTR2CHTR2BKDM1ACYP3A4
SCHEMBL6918350 0.77 HTR2A (0.41) HTR2AHTR2CHTR2BKDM1AHCRTR1
SCHEMBL5407323 0.77 HTR2A (0.41) HTR2AHTR2CHTR2BKDM1AHCRTR1
SCHEMBL5410813 0.77 HTR2A (0.39) HTR2AHTR2CHTR2BKDM1AHCRTR1
SCHEMBL5424432 0.76 HTR2A (0.53) HTR2AHTR2CHTR2BRBP4CCR3
SCHEMBL5418667 0.76 HTR2A (0.53) HTR2AHTR2CHTR2BRBP4CCR3
SCHEMBL5412602 0.76 HTR2A (0.50) HTR2AHTR2CHTR2BCYP2C9CYP2C19
SCHEMBL6492662 0.76 DRD2 (0.34) HTR2AHTR2CHCRTR1HCRTR2
SCHEMBL5413963 0.76 HTR2A (0.50) HTR2AHTR2CHTR2BCCR3SMO

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 11/4885HTR2B 5/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2A 21/4885HTR2C 11/4885HTR2B 5/4885

“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.