SCHEMBL2071357

SCHEMBL2071357

CNCCC(c1ccccc1)c1cc2cccc(OC)c2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 7/20 0.50
▸ SLC6A2 P23975 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ PMP22 Q01453 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45

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
SCHEMBL2073834 0.80 SLC6A2 (0.50) SLC6A4SLC6A2MEN1KMT2ACYP1A2
SCHEMBL2074390 0.77 HTR2A (0.59) SLC6A4SLC6A2CYP2D6SLC6A3HTR2A
SCHEMBL2072279 0.76 HTR2A (0.50) SLC6A4SLC6A2MEN1KMT2ACYP2D6
SCHEMBL2073831 0.75 HTR2A (0.49) SLC6A4SLC6A2MEN1KMT2ACYP2D6
SCHEMBL11296737 0.73 HSD17B10 (0.48) MEN1KMT2AMAPTADORA2AADORA2B
SCHEMBL11347669 0.73 KMT2A (0.57) MEN1KMT2AMAPTADORA2AADORA2B
SCHEMBL25062632 0.72 CYP2A6 (0.57) MEN1KMT2AMAPTADORA2AADORA2B
SCHEMBL7962809 0.72 ADORA2A (0.45) MEN1KMT2AMAPTADORA2AADORA2B
SCHEMBL7958775 0.71 NPC1 (0.46) MEN1KMT2AMAPTADORA2AADORA2B
SCHEMBL31530557 0.70 ADORA2A (0.61) MEN1KMT2AMAPTADORA2AADORA2B

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 9/4885MEN1 2694/4885

“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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