SCHEMBL4282018

SCHEMBL4282018

c1ccc2c(c1)CNCC[C@@H]2c1ccc2[nH]ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 12/20 0.58
▸ SLC6A4 P31645 12/20 0.58
▸ SLC6A3 Q01959 11/20 0.58
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HSD11B1 P28845 2/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37

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
SCHEMBL4272848 1.00 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3MEN1CYP3A4
SCHEMBL4272851 1.00 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3MEN1CYP3A4
Hydrochloric Acid SCHEMBL4271925 0.99 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MEN1CYP3A4
SCHEMBL4305585 0.87 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3MEN1CYP3A4
SCHEMBL20863593 0.82 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3MEN1CYP2D6
SCHEMBL4276678 0.78 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3MEN1CYP3A4
SCHEMBL4313500 0.77 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3MEN1CYP3A4
SCHEMBL4282005 0.77 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3CYP2D6HSD11B1
SCHEMBL3258819 0.76 MEN1 (0.69) SLC6A2SLC6A4SLC6A3MEN1CYP3A4
SCHEMBL3258817 0.76 MEN1 (0.69) SLC6A2SLC6A4SLC6A3MEN1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032558-A1 BENZAZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-03-11 — — EP claimed
WO-2007137953-A1 BENZAZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 — — WO claimed
US-7622462-B2 Benzazepine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-11-24 — — US disclosed
US-20070281920-A1 Benzazepine derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-06 — — 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-20070281920-A1 Benzazepine derivatives and uses thereof TPH1, TPH2, HTR2B SLC6A2 31/4885SLC6A4 29/4885SLC6A3 35/4885

“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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