SCHEMBL2074741

SCHEMBL2074741

CC(N)CC(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
CYP2D6 P10635 1/20 0.59
KCNH2 Q12809 1/20 0.59
FFAR1 O14842 2/20 0.56
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MGAM O43451 6/20 0.55
GAA P10253 6/20 0.55
SI P14410 6/20 0.55

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
SCHEMBL14168804 0.85 GPR84 (0.64) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL2074209 0.85 HTR2A (0.61) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL2074210 0.82 CYP2D6 (0.64) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL13253129 0.81 MEN1 (0.74) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL6139054 0.79 GPR84 (0.65) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL2073813 0.78 CYP2D6 (0.67) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL108954 0.78 GPR84 (0.84) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL5186684 0.78 CYP2D6 (0.67) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL1348944 0.78 MGAM (0.64) GPR84SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL7967556 0.78 GPR84 (0.62) GPR84SLC6A2SLC6A4CYP2D6KCNH2

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 GPR84 1328/4885SLC6A2 9/4885SLC6A4 14/4885

“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.