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SCHEMBL3229545

SCHEMBL3229545

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TMEM97 Q5BJF2 3/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ ADAMTS4 O75173 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 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
SCHEMBL3231425 0.89 MMP13 (0.47) SLC6A2SLC6A4SLC6A3HSD17B10TMEM97
SCHEMBL3479739 0.89 GAA (0.46) TMEM97SIGMAR1DRD3HTR6LMNA
SCHEMBL3225754 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3HSD17B10TMEM97
SCHEMBL3233345 0.87 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3222197 0.86 ADAMTS4 (0.42) SLC6A2SLC6A4SLC6A3HSD17B10TMEM97
SCHEMBL3231453 0.86 HSD17B10 (0.56) SLC6A2SLC6A4SLC6A3HSD17B10TMEM97
SCHEMBL3479693 0.86 DRD3 (0.48) SLC6A2SLC6A4SLC6A3HSD17B10TMEM97
SCHEMBL3227352 0.85 THRB (0.49) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL3232084 0.84 HTR3A (0.54) SLC6A2SLC6A4SLC6A3DRD3HTR6
SCHEMBL3228723 0.82 MEN1 (0.43) SIGMAR1RORC

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 SLC6A2 28/4885SLC6A4 40/4885SLC6A3 32/4885

“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.