SCHEMBL2074233

SCHEMBL2074233

CNCCC(c1ccccc1)c1c[nH]c2c(C(=O)N3CCOCC3)ccc(OC)c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRMT5 O14744 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.38
CNR1 P21554 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
BRD7 Q9NPI1 1/20 0.37

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
SCHEMBL2075048 0.82 SLC6A2 (0.46) CNR2KMT2ANPSR1TSHRCYP2D6
SCHEMBL2074292 0.82 SLC6A2 (0.46) CNR2KMT2ANPSR1TSHRCYP2D6
SCHEMBL2073829 0.81 SLC6A2 (0.44) CNR2KMT2ANPSR1TSHRCYP2D6
SCHEMBL2074885 0.76 SLC6A2 (0.45) KMT2ATSHRCYP2D6SLC6A2SLC6A4
SCHEMBL2072801 0.76 SLC6A2 (0.51) KMT2ATSHRCYP2D6SLC6A2SLC6A4
SCHEMBL2074020 0.75 SLC6A4 (0.50) KMT2ATSHRCYP2D6SLC6A2SLC6A4
SCHEMBL2073941 0.75 SLC6A4 (0.50) KMT2ATSHRCYP2D6SLC6A2SLC6A4
SCHEMBL2071262 0.73 SLC6A2 (0.47) KMT2ATSHRCYP2D6SLC6A2SLC6A4
SCHEMBL2074703 0.71 SLC6A4 (0.50) KMT2ATSHRCYP2D6SLC6A2SLC6A4
SCHEMBL2073643 0.71 SLC6A4 (0.64) KMT2ATSHRCYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 US 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A CNR2 153/4885KMT2A 920/4885NPSR1 42/4885

“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.