SCHEMBL2074377

SCHEMBL2074377

CNCCC(c1ccccc1)c1cc2c(OC)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.49
▸ SLC6A4 P31645 8/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ CYP2D6 P10635 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ SLC6A3 Q01959 3/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ RCE1 Q9Y256 1/20 0.48
▸ PMP22 Q01453 2/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ HRH1 P35367 2/20 0.48
▸ KCNH2 Q12809 2/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ MTNR1A P48039 3/20 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
SCHEMBL2072639 0.82 HTR2A (0.50) SLC6A2SLC6A4CYP2D6SLC6A3HTR2A
SCHEMBL2071266 0.78 HTR2A (0.57) SLC6A2SLC6A4CYP2D6SLC6A3CYP3A4
SCHEMBL2071442 0.77 SLC6A4 (0.48) SLC6A2SLC6A4KMT2ACYP2D6MEN1
SCHEMBL2073550 0.76 SLC6A4 (0.48) SLC6A2SLC6A4KMT2ACYP2D6MEN1
SCHEMBL2072549 0.76 SLC6A4 (0.48) SLC6A2SLC6A4KMT2ACYP2D6MEN1
SCHEMBL2072532 0.76 SLC6A4 (0.48) SLC6A2SLC6A4KMT2ACYP2D6MEN1
SCHEMBL2073834 0.74 SLC6A2 (0.50) SLC6A2SLC6A4KMT2ACYP2D6MEN1
SCHEMBL2073643 0.74 SLC6A4 (0.64) SLC6A2SLC6A4KMT2ACYP2D6MEN1
SCHEMBL1714535 0.74 SLC6A4 (0.64) SLC6A2SLC6A4KMT2ACYP2D6MEN1
SCHEMBL1714532 0.74 SLC6A4 (0.64) SLC6A2SLC6A4KMT2ACYP2D6MEN1

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 SLC6A2 9/4885SLC6A4 14/4885KMT2A 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.

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