SCHEMBL2074684

SCHEMBL2074684

CNCCC(c1ccccc1)c1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 9/20 0.50
▸ SLC6A2 P23975 4/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ HRH1 P35367 2/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ NOS2 P35228 4/20 0.46
▸ CYP2D6 P10635 3/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ HTR1B P28222 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL2071266 0.85 HTR2A (0.57) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2073550 0.82 SLC6A4 (0.48) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL27663475 0.80 CNR1 (0.39) NOS2ALOX15LMNAMAPT
SCHEMBL2072639 0.77 HTR2A (0.50) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2072532 0.75 SLC6A4 (0.48) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2072549 0.75 SLC6A4 (0.48) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2073934 0.73 SLC6A4 (0.72) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL3823645 0.73 HTR2A (0.51) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2075092 0.73 HTR2A (0.51) SLC6A4SLC6A2HTR2AHRH1SLC6A3
SCHEMBL2074077 0.73 HTR2A (0.51) SLC6A4SLC6A2HTR2AHRH1SLC6A3

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 9/4885HTR2A 17/4885

“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.

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