SCHEMBL2071442

SCHEMBL2071442

CNCCC(c1cc2ccccc2[nH]1)c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.48
▸ SLC6A2 P23975 7/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PMP22 Q01453 1/20 0.43
▸ KCNH2 Q12809 1/20 0.40
▸ DRD4 P21917 2/20 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
SCHEMBL2072532 0.81 SLC6A4 (0.48) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL2071266 0.81 HTR2A (0.57) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL30418860 0.77 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL23522147 0.77 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL23522145 0.77 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2074377 0.77 SLC6A2 (0.49) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL2073550 0.74 SLC6A4 (0.48) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL2072549 0.74 SLC6A4 (0.48) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL2072569 0.73 SLC6A4 (0.70) SLC6A4SLC6A2MEN1KMT2ASLC6A3
SCHEMBL2305138 0.73 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4

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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