SCHEMBL4886182

SCHEMBL4886182

c1ccc(-n2c3c(c4cc(Oc5ccc6c(c5)c5c(n6-c6ccccc6)CCNC5)ccc42)CNCC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.54
PTGS2 P35354 1/20 0.54
CYP3A4 P08684 1/20 0.40
HTR6 P50406 1/20 0.40
MCHR1 Q99705 2/20 0.39
SIRT2 Q8IXJ6 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
USP14 P54578 1/20 0.35
LTA4H P09960 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
SCHEMBL11063847 0.82 HTR2A (0.49) PTGS1PTGS2HTR6MCHR1KDM4E
Hydrochloric Acid SCHEMBL31078325 0.82 MAPT (0.49) PTGS1PTGS2CYP3A4HTR6MCHR1
SCHEMBL4892347 0.81 PTGS1 (0.46) PTGS1PTGS2CYP3A4HTR6MCHR1
Hydrochloric Acid SCHEMBL31078525 0.81 KDM4E (0.50) PTGS1PTGS2HTR6MCHR1KDM4E
SCHEMBL4892790 0.77 HDAC1 (0.50) PTGS1PTGS2CYP3A4HTR6SIRT2
SCHEMBL10378638 0.75 CYP3A4 (0.49) CYP3A4
Hydrochloric Acid SCHEMBL11199199 0.74 CYP3A4 (0.48) CYP3A4
SCHEMBL10957585 0.72 HTR2C (0.62) HTR6KDM4E
Hydrochloric Acid SCHEMBL31078540 0.71 HTR6 (0.48) HTR6MCHR1KDM4E
SCHEMBL21121272 0.71 CYP3A4 (0.46) CYP3A4HTR6SIRT2

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-20080280941-A1 8-Phenoxy-Gamma Carboline Derivatives PHARMA C S.A. (FR) 2008-11-13 US claimed
EP-1756102-A1 8-PHENOXY-GammaCARBOLINE DERIVATIVES Pharma C S.A. (FR) 2007-02-28 EP claimed
WO-2005095396-A1 8-PHENOXY-Ϝ CARBOLINE DERIVATIVES PHARMA C S.A. (FR) 2005-10-13 WO 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 (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-20080280941-A1 8-Phenoxy-Gamma Carboline Derivatives CHRNA7, ADRA2C, CHRNE PTGS1 249/4885PTGS2 268/4885CYP3A4 259/4885

“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.