SCHEMBL2072969

SCHEMBL2072969

CNCCC(c1cccnc1)n1ncc2c(OC)cccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 3/20 0.39
SLC6A2 P23975 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PMP22 Q01453 1/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
CACNA2D1 P54289 4/20 0.36

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
SCHEMBL2072446 0.89 SLC6A2 (0.47) MEN1KMT2ACYP3A4SLC6A2CYP2C19
SCHEMBL2072449 0.89 SLC6A2 (0.47) MEN1KMT2ACYP3A4SLC6A2CYP2C19
SCHEMBL2072835 0.85 SLC6A2 (0.43) MEN1KMT2ACYP3A4SLC6A2CYP2C19
SCHEMBL2073143 0.83 SLC6A2 (0.39) MAPTMEN1KMT2ACYP3A4SLC6A2
SCHEMBL2075060 0.83 SLC6A2 (0.47) MAPTMEN1KMT2ACYP3A4SLC6A2
SCHEMBL2072541 0.80 SLC6A2 (0.38) MAPTMEN1KMT2ACYP3A4SLC6A2
SCHEMBL2075231 0.76 SLC6A2 (0.40) SLC6A2SLC6A4
SCHEMBL2073879 0.75 CACNA2D1 (0.39) SLC6A2SLC6A4CACNA2D1
SCHEMBL2074151 0.75 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL2073712 0.74 SLC6A2 (0.47) MEN1KMT2ACYP3A4SLC6A2CYP2C19

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 MAPT 1131/4885MEN1 2694/4885KMT2A 920/4885

“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.