SCHEMBL3479712

SCHEMBL3479712

CN1CCN(c2ccc(Cl)c(Cl)c2)c2ccc(N3CCNCC3)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.59
TMEM97 Q5BJF2 1/20 0.47
SLC6A4 P31645 8/20 0.44
SLC6A2 P23975 7/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.39
BCL2 P10415 1/20 0.39
BID P55957 1/20 0.39
RAD51 Q06609 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BCL2A1 Q16548 1/20 0.39
BCL2L2 Q92843 1/20 0.39
HTR3A P46098 3/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3D Q70Z44 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
SCHEMBL3480071 0.91 MAPT (0.50) ADRB1TMEM97SLC6A4SLC6A2MAPT
SCHEMBL3479556 0.88 ADRB1 (0.51) ADRB1SLC6A4HTR3AHTR3EHTR3B
SCHEMBL3230352 0.86 MAPT (0.45) ADRB1TMEM97SLC6A4SLC6A2MAPT
SCHEMBL3239201 0.84 ADRB1 (0.47) ADRB1SLC6A4HTR3AHTR3EHTR3B
SCHEMBL3479783 0.83 ADRB1 (0.40) ADRB1SLC6A4MAPTHTR3AHTR3E
SCHEMBL3479410 0.83 HTR1A (0.45) ADRB1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL3479564 0.82 ADRB1 (0.40) ADRB1MAPTL3MBTL1ALDH1A1HTR3A
SCHEMBL3217087 0.82 MAPT (0.49) SLC6A4SLC6A2MAPTLMNAALOX12
SCHEMBL3227352 0.81 THRB (0.49) TMEM97SLC6A4SLC6A2MAPTLMNA
SCHEMBL3479751 0.80 SLC6A2 (0.48) TMEM97SLC6A4SLC6A2MAPTLMNA

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 ADRB1 2/4885TMEM97 542/4885SLC6A4 40/4885

“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.