SCHEMBL7797530

SCHEMBL7797530

NCCCCCC1Cc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
AOC2 O75106 5/20 0.42
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
DAO P14920 1/20 0.42
HTR2A P28223 4/20 0.39
HRH1 P35367 1/20 0.39
CA2 P00918 2/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
DRD2 P14416 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL8038140 0.86 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8026169 0.86 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8035976 0.86 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8689028 0.84 GRM2 (0.46) HRH3
SCHEMBL14862117 0.84 GRM2 (0.46) HRH3
SCHEMBL2059453 0.82 GRM2 (0.44) HRH3
SCHEMBL7271562 0.80 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL10366459 0.80 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL7270698 0.80 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL718265 0.79 HRH3 (0.49) HRH3AOC2MAOAMAOBDAO

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 11 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-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024119-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 HRH3 404/4885AOC2 2200/4885MAOA 2776/4885

“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.