SCHEMBL6493979

SCHEMBL6493979

c1cncc(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CHEK1 O14757 1/20 0.33
ROCK1 Q13464 1/20 0.33
PIK3CA P42336 3/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
HTR3A P46098 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL6491699 0.89 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6501489 0.85 PARP14 (0.35) HTR2CHTR2AHTR2B
SCHEMBL6783539 0.84 HTR2C (0.39) HTR2CHTR2AHTR2BPIK3CA
SCHEMBL6499854 0.82 CHEK1 (0.37) HTR2CHTR2AHTR2BCHEK1
SCHEMBL6493628 0.82 KDM4E (0.38) HTR2CHTR2AHTR2BPIK3CA
SCHEMBL6490201 0.82 IDH2 (0.41) HTR2CHTR2AHTR2B
SCHEMBL6789705 0.81 HTR2C (0.35) HTR2CHTR2AHTR2BOPRD1
SCHEMBL6492420 0.81 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL6785048 0.81 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6492815 0.81 HTR2C (0.39) HTR2CHTR2AHTR2B

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 21/4885HTR2B 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.