SCHEMBL3480071

SCHEMBL3480071

CN1CCN(c2ccc3c(c2)CN(C)CCN3c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
ALOX12 P18054 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
ALDH1A1 P00352 1/20 0.46
BCL2 P10415 1/20 0.46
BID P55957 1/20 0.46
RAD51 Q06609 1/20 0.46
BCL2L1 Q07817 1/20 0.46
BCL2A1 Q16548 1/20 0.46
BCL2L2 Q92843 1/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
PTK2B Q14289 1/20 0.46

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
SCHEMBL3230352 0.91 MAPT (0.45) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL3479712 0.91 ADRB1 (0.59) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL3217087 0.90 MAPT (0.49) MAPTSMN1; SMN2LMNAALOX12SLC6A2
SCHEMBL3227352 0.89 THRB (0.49) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL3479952 0.86 POLB (0.50) MAPTALOX12L3MBTL1ALDH1A1HTT
SCHEMBL3479751 0.85 SLC6A2 (0.48) MAPTLMNAALOX12SLC6A2SLC6A4
SCHEMBL3227337 0.85 SLC6A2 (0.48) MAPTLMNAALOX12L3MBTL1SLC6A2
SCHEMBL3479634 0.83 SLC6A2 (0.46) L3MBTL1SLC6A2SLC6A4BCL2A1KDM4E
SCHEMBL3230187 0.83 SLC6A2 (0.62) MAPTLMNAALOX12SLC6A2SLC6A4
SCHEMBL423400 0.82 MAPT (0.65) MAPTSMN1; SMN2LMNAALOX12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096546-B2 Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-08-04 US disclosed
US-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 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-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA1B, ADRB1, ADRA1D MAPT 2307/4885SMN1; SMN2 2932/4885LMNA 3262/4885

“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.