SCHEMBL2075294

SCHEMBL2075294

CNCCC(c1cccnc1)c1c[nH]c2cccc(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
SLC6A2 P23975 2/20 0.52
KCNH2 Q12809 2/20 0.52
CYP2D6 P10635 1/20 0.52
GPR84 Q9NQS5 1/20 0.40
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNA5 P22460 3/20 0.36
HAT1 O14929 1/20 0.36
EP300 Q09472 1/20 0.36
NR4A2 P43354 1/20 0.35
SLC6A3 Q01959 1/20 0.35
VDR P11473 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
SCHEMBL2074694 0.89 SLC6A4 (0.51) SLC6A4SLC6A2KCNH2CYP2D6GPR84
SCHEMBL2075066 0.87 SLC6A4 (0.67) SLC6A4SLC6A2KCNH2CYP2D6GPR84
SCHEMBL2069976 0.87 SLC6A4 (0.67) SLC6A4SLC6A2KCNH2CYP2D6GPR84
SCHEMBL2069979 0.87 SLC6A4 (0.67) SLC6A4SLC6A2KCNH2CYP2D6GPR84
SCHEMBL3214934 0.87 SLC6A4 (0.44) SLC6A4SLC6A2KCNH2CYP2D6HTR2A
Hydrochloric Acid SCHEMBL3231571 0.86 SLC6A4 (0.43) SLC6A4SLC6A2KCNH2CYP2D6HTR2A
SCHEMBL2074123 0.85 SLC6A2 (0.50) SLC6A4SLC6A2KCNH2CYP2D6HTR2A
SCHEMBL28765130 0.84 GPR84 (0.40) SLC6A4SLC6A2KCNH2GPR84KCNA5
SCHEMBL2073713 0.83 SLC6A2 (0.48) SLC6A4SLC6A2KCNH2CYP2D6HTR2A
SCHEMBL2075118 0.79 SLC6A4 (0.51) SLC6A4SLC6A2KCNH2CYP2D6GPR84

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 SLC6A4 14/4885SLC6A2 9/4885KCNH2 1426/4885

“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.