SCHEMBL6779762

SCHEMBL6779762

COC(=O)c1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
ALOX15 P16050 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PRKDC P78527 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
AKT1 P31749 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.31
MGLL Q99685 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
SCHEMBL6501724 0.85 HTR2C (0.59) HTR2CHTR2AHTR2B
SCHEMBL6492032 0.80 HTR2C (0.44) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL6790732 0.80 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL6492742 0.79 HTR2C (0.46) HTR2CHTR2AHTR2BALDH1A1ALOX15
SCHEMBL6494032 0.76 HTR2C (0.77) HTR2CHTR2AHTR2BKDM4EROCK2
SCHEMBL6494037 0.76 HTR2C (0.77) HTR2CHTR2AHTR2BKDM4EROCK2
SCHEMBL6788497 0.75 HTR2C (0.45) HTR2CHTR2AHTR2BAKT1
SCHEMBL6784649 0.75 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL5407398 0.73 HTR2C (0.69) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL6498507 0.72 HTR2C (0.39) HTR2CHTR2AHTR2BALDH1A1

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

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