SCHEMBL3228723

SCHEMBL3228723

CC(=O)N1CCN(c2ccc3c(c2)CN(C)CCN3c2ccc(F)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
RORC P51449 12/20 0.43
ALK Q9UM73 1/20 0.42
MAOB P27338 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL3479739 0.90 GAA (0.46) MEN1KMT2AGFERSIGMAR1
SCHEMBL3230258 0.89 SMN1; SMN2 (0.48) CASP6GFERRORC
SCHEMBL3231551 0.88 GFER (0.44) MEN1KMT2ACASP6GFERRORC
SCHEMBL3239224 0.87 RORC (0.48) KMT2ACASP6GFERRORCSIGMAR1
SCHEMBL3235474 0.86 RORC (0.45) CASP6GFERRORCALK
SCHEMBL3232992 0.86 RORC (0.45) CASP6GFERRORCALKSIGMAR1
SCHEMBL3217484 0.85 RORC (0.51) CASP6GFERRORCSIGMAR1
SCHEMBL3217087 0.85 MAPT (0.49) MEN1KMT2ACASP6GFERRORC
SCHEMBL3228169 0.82 LGMN (0.41) KMT2AGFERMAOBSIGMAR1MAOA
SCHEMBL3479783 0.82 ADRB1 (0.40) SIGMAR1

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
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
EP-2146722-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141081-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 WO 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 MEN1 1276/4885KMT2A 1229/4885CASP6 4696/4885

“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.