SCHEMBL2073903

SCHEMBL2073903

CN(C)CCC(c1ccccc1)c1cc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 4/20 0.57
▸ HTR2A P28223 3/20 0.57
▸ CHRM2 P08172 3/20 0.49
▸ SLC6A2 P23975 3/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ SCN1A P35498 2/20 0.49
▸ SCN2A Q99250 2/20 0.49
▸ SCN3A Q9NY46 2/20 0.49
▸ ALOX5 P09917 1/20 0.45
▸ HTR2C P28335 2/20 0.43
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ THPO P40225 2/20 0.41

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 0.79 HTR2A (0.57) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL7814836 0.77 ALOX5 (0.50) ALOX5ALDH1A1KDM4ERAB9A
SCHEMBL27663367 0.76 LOXL2 (0.44) ALOX5ALDH1A1KDM4ERAB9A
SCHEMBL1802493 0.75 HRH1 (1.00) HRH1HTR2ACHRM2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11383046 0.73 HRH1 (0.95) HRH1HTR2ACHRM2SLC6A2SLC6A4
SCHEMBL518794 0.73 ALOX5 (0.50) ALOX5LMNAALDH1A1CYP2C19KDM4E
SCHEMBL27879793 0.73 ALOX5 (0.49) ALOX5LMNAALDH1A1KDM4ERAB9A
SCHEMBL6139050 0.72 ALOX5 (0.44) ALOX5LMNAALDH1A1KDM4ERAB9A
SCHEMBL16487199 0.72 NPC1 (0.47) SLC6A2SLC6A4ALOX5KDM4ERAB9A
SCHEMBL4779989 0.72 NPC1 (0.47) SLC6A2SLC6A4ALOX5KDM4ERAB9A

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 HRH1 226/4885HTR2A 17/4885CHRM2 219/4885

“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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