SCHEMBL4629583

SCHEMBL4629583

FCCCCCc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.38
HTR2A P28223 1/20 0.38
MAOA P21397 1/20 0.37
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
SIGMAR1 Q99720 6/20 0.34
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSPD1 P10809 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
SCHEMBL7510277 1.00 HRH1 (0.38) HRH1HTR2AMAOAS1PR1S1PR3
SCHEMBL2138046 1.00 HRH1 (0.38) HRH1HTR2AMAOAS1PR1S1PR3
SCHEMBL3034286 0.98 MAOA (0.38) HRH1HTR2AMAOAS1PR1S1PR3
SCHEMBL1031911 0.91 MAOA (0.34) HRH1HTR2AMAOASIGMAR1
SCHEMBL11690401 0.88 SIGMAR1 (0.41) HRH1HTR2AMAOASIGMAR1ESR1
SCHEMBL11803736 0.85 MAOA (0.40) HRH1HTR2AMAOASIGMAR1ESR1
SCHEMBL3593094 0.82 MAOA (0.58) HRH1HTR2AMAOASIGMAR1
SCHEMBL27478848 0.82 MAOA (0.58) HRH1HTR2AMAOASIGMAR1
SCHEMBL989591 0.80
SCHEMBL3581333 0.79 MAOA (0.60) HRH1HTR2AMAOASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP 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-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 HRH1 20/4885HTR2A 4154/4885MAOA 1163/4885

“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.