SCHEMBL7796025

SCHEMBL7796025

NCCCCCc1ccc2c(c1)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.44
MAOA P21397 1/20 0.44
HTR2A P28223 2/20 0.40
TPSAB1 Q15661 1/20 0.39
TLR8 Q9NR97 4/20 0.38
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL28297053 0.96 MAOA (0.44) HRH1MAOATPSAB1KIF11
SCHEMBL6348778 0.91 TPSAB1 (0.43) MAOATPSAB1KIF11
SCHEMBL17188629 0.86 CYP2D6 (0.42) MAOAHTR2ADRD2SLC6A2KIF11
SCHEMBL30496730 0.84 TAAR1 (0.47) HTR2ADRD2SLC6A2KIF11
SCHEMBL17186185 0.84 TAAR1 (0.47) HTR2ADRD2SLC6A2KIF11
SCHEMBL30496717 0.82 TAAR1 (0.45) DRD2SLC6A2KIF11
Hydrochloric Acid SCHEMBL5157753 0.82 TDP1 (0.48) DRD2SLC6A2KIF11
SCHEMBL5079011 0.82 TAAR1 (0.45) DRD2SLC6A2KIF11
SCHEMBL9747402 0.81 S1PR1 (0.49) HTR2ADRD2SLC6A2HTR2CSLC6A4
SCHEMBL9392878 0.81 BCHE (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL HRH1 308/4885MAOA 2776/4885HTR2A 1890/4885

“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.