SCHEMBL6779589

SCHEMBL6779589

c1ccc2ncc(CNc3cc4c5c(c3)[C@@H]3CNCC[C@@H]3N5CCSC4)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
HTR2C P28335 3/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FAAH O00519 2/20 0.35
CHKA P35790 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GHSR Q92847 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PRKCI P41743 1/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
TACR1 P25103 1/20 0.30
TACR3 P29371 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
SCHEMBL6501834 0.86 HTR2C (0.41) HTR2CHTR2AHTR2BPRKCI
SCHEMBL6505137 0.81 HTR2C (0.41) HTR2CHTR2AHTR2BMAOB
SCHEMBL6492455 0.80 HTR2C (0.37) HTR2CHTR2AHTR2B
SCHEMBL6492557 0.79 HTR2C (0.49) HTR2CHTR2AHTR2B
SCHEMBL6491096 0.78 HTR2C (0.41) HTR2CHTR2AHTR2B
SCHEMBL6497940 0.78 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL6501180 0.78 HTR2C (0.40) HTR2CHTR2AHTR2BDYRK1ACLK4
SCHEMBL6491488 0.77 HTR2C (0.42) HTR2CHTR2AHTR2B
SCHEMBL6494124 0.76 HTR2C (0.37) HTR2CHTR2AHTR2BTACR1
SCHEMBL6503116 0.76 HTR2C (0.41) 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 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 CYP1A2 365/4885HTR2C 11/4885HTR2A 21/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 CYP1A2 365/4885HTR2C 11/4885HTR2A 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.