SCHEMBL6491978

SCHEMBL6491978

COc1ccc(OC)c(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.45
HTR2B P41595 5/20 0.45
HTR2A P28223 2/20 0.45
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
ERBB3 P21860 1/20 0.33
GAA P10253 3/20 0.32
LMNA P02545 2/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6502241 0.92 HTR2C (0.38) HTR2CHTR2BHTR2AHTTMAPT
SCHEMBL6784788 0.91 HTR2C (0.39) HTR2CHTR2BHTR2A
SCHEMBL6500547 0.89 HTR2C (0.43) HTR2CHTR2BHTR2APOLBMAPT
SCHEMBL6780113 0.86 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL6498252 0.86 HTR2C (0.38) HTR2CHTR2BHTR2A
SCHEMBL6498507 0.85 HTR2C (0.39) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL6501673 0.84 HTR2C (0.37) HTR2CHTR2BHTR2AALDH1A1SMN1; SMN2
SCHEMBL6492010 0.83 HTR2C (0.37) HTR2CHTR2BHTR2A
SCHEMBL6501662 0.82 HTR2C (0.37) HTR2CHTR2BHTR2A
SCHEMBL6790044 0.81 HTR2C (0.39) HTR2CHTR2BHTR2A

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

“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.