SCHEMBL6604848

SCHEMBL6604848

O=C(O)c1cc2c(N3CCN(C(=O)CCc4csc5ccccc45)CC3)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.50
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
ESR1 P03372 2/20 0.45
TACR1 P25103 8/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PARP1 P09874 1/20 0.41
HTR1A P08908 1/20 0.41
GLA P06280 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
SCHEMBL6612176 0.83 MC4R (0.46) MC4RKMT2ALMNAMEN1MAPT
SCHEMBL6604860 0.78 HTR1A (0.69) ALDH1A1HTR1A
SCHEMBL6598787 0.75 HTR1A (0.67) HTR1A
SCHEMBL7943360 0.71 HRH4 (0.56) KMT2ALMNAMEN1KDM4EALDH1A1
SCHEMBL1393298 0.65 CYP2A6 (0.59) SMN1; SMN2
SCHEMBL8659591 0.64 HTR1A (0.60) LMNAALDH1A1GAAHTR1A
SCHEMBL11825700 0.63 KMT2A (0.85) KMT2ALMNAMEN1MAPTKDM4E
SCHEMBL7076688 0.63 DRD2 (0.57) KMT2AMEN1MAPTGAANPSR1
SCHEMBL7951552 0.63 DRD2 (0.53) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL27237956 0.62 DRD2 (0.50) HTR1A

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
EP-1337528-B1 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF VITA LAB (ES) 2004-08-04 EP disclosed
US-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof LABORATORIOS VITA, S.A. (ES) 2004-02-19 US disclosed
EP-1337528-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2003-08-27 EP disclosed
WO-2002044170-A2 BENZOTHIOPHENE DERIVATIVE COMPOUNDS, PROCESS OF PREPARATION AND USE THEREOF LABORATORIOS VITA, S.A. (ES) 2002-06-06 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-20040034219-A1 Benzothiophene derivative compounds process of preparation and use thereof TPH1, HTR1A, HTR5A MC4R 318/4885KMT2A 2393/4885LMNA 3663/4885

“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.