SCHEMBL6507779

SCHEMBL6507779

O=C1CCn2c3c(c4cccc1c42)CCNCC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.58
HTR2A P28223 10/20 0.58
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43

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
Oxalic Acid SCHEMBL6492860 0.94 HTR2C (0.52) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6482126 0.83 HTR2C (0.58) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6500842 0.80 HTR2C (0.63) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6507807 0.80 HTR2C (0.48) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6498458 0.78 HTR2C (0.40) HTR2CHTR2AKDM4EALOX15MAPK1
Hydrochloric Acid SCHEMBL6494772 0.78 HTR2C (0.62) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6492296 0.75 PTGDR2 (0.45) HTR2AALOX15HSD17B10CYP2C9ADRA2A
Oxalic Acid SCHEMBL6496558 0.75 HTR2C (0.44) HTR2CHTR2AKDM4EMEN1KMT2A
SCHEMBL6585617 0.74 CSNK2B (0.38) HTR2CHTR2AADRA2AADRA2BADRA2C
SCHEMBL5413796 0.74 HTR2C (0.60) HTR2CHTR2AKDM4EALOX15MAPK1

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-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US claimed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US claimed

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-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 HTR2C 22/4885HTR2A 34/4885KDM4E 1036/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885KDM4E 1620/4885

“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.