SCHEMBL3640241

SCHEMBL3640241

CCCC(O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
DRD2 P14416 1/20 0.48
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ADAMTS4 O75173 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
DPP4 P27487 1/20 0.42
CYP2D6 P10635 1/20 0.41
CASR P41180 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL13359301 0.87 LOXL2 (0.51) LOXL2MTNR1AMTNR1BADAMTS4HRH4
SCHEMBL25973384 0.83 LOXL2 (0.50) LOXL2DRD2GAAHPGDMTNR1A
SCHEMBL5693168 0.82 LOXL2 (0.53) LOXL2MTNR1AMTNR1BADAMTS4HRH4
SCHEMBL5858443 0.82 LOXL2 (0.53) LOXL2MTNR1AMTNR1BADAMTS4HRH4
SCHEMBL5249054 0.80 LOXL2 (0.55) LOXL2MTNR1AMTNR1BADAMTS4HRH4
SCHEMBL30305027 0.80 LOXL2 (0.55) LOXL2MTNR1AMTNR1BADAMTS4HRH4
SCHEMBL5365001 0.80 LOXL2 (0.55) LOXL2MTNR1AMTNR1BADAMTS4HRH4
SCHEMBL14158953 0.80 DAO (0.42) HRH4KDM4EMAPT
SCHEMBL5860943 0.78 CASR (0.47) LOXL2MTNR1AMTNR1BCYP2D6CASR
SCHEMBL5859102 0.77 LOXL2 (0.47) LOXL2MTNR1AMTNR1BADAMTS4HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 LOXL2 3714/4885DRD2 265/4885GAA 4085/4885

“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.