SCHEMBL2071447

SCHEMBL2071447

c1ccc(C(c2c[nH]c3ccccc23)C2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
ADRB2 P07550 1/20 0.50
SRC P12931 1/20 0.48
SLC6A4 P31645 5/20 0.48
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 2/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SLC6A2 P23975 2/20 0.44
MAPT P10636 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL2071514 0.85 GPR84 (0.49) HTR2CSRCSLC6A4GPR84FFAR1
SCHEMBL21479835 0.81 GPR84 (0.58) HTR2CADRB2SRCSLC6A4GPR84
SCHEMBL2247018 0.78 OPRD1 (0.57) SLC6A4SLC6A2SLC6A3OPRD1
SCHEMBL29871975 0.77 GPR84 (0.53) HTR2CADRB2GPR84FFAR1MAPT
SCHEMBL22922689 0.77 GPR84 (0.53) HTR2CADRB2GPR84FFAR1MAPT
SCHEMBL740828 0.77 HTR2C (0.50) HTR2CADRB2SRCSLC6A4GPR84
Hydrochloric Acid SCHEMBL3657538 0.76 OPRD1 (0.56) SLC6A4SLC6A2SLC6A3OPRD1
SCHEMBL11148497 0.73 SLC6A4 (0.57) HTR2CADRB2SLC6A4GPR84FFAR1
SCHEMBL143511 0.73 SLC6A4 (0.47) HTR2CADRB2SLC6A4GPR84FFAR1
SCHEMBL138591 0.73 GPR84 (0.42) HTR2CSRCSLC6A4GPR84FFAR1

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 6 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
CN-1993321-A 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors HOFFMANN LA ROCHE (CH) 2007-07-04 CN 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 HTR2C 8/4885ADRB2 55/4885SRC 1869/4885

“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.