SCHEMBL7522547

SCHEMBL7522547

CCCOc1ccccc1-c1cccc2c1[C@H]1CCNCCC1N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.39
HTR2A P28223 4/20 0.39
HTR2B P41595 2/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.35
PDE5A O76074 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH1 P35367 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL6781199 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL7519152 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6780901 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6781196 1.00 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6785145 0.94 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6784495 0.94 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL7156816 0.94 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL7159824 0.94 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6785147 0.94 HTR2C (0.39) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6785373 0.93 HTR2A (0.38) HTR2CHTR2ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 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 (1 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-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885HTR2B 12/4885

“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.