SCHEMBL667641

SCHEMBL667641

c1ccc2c(c1)CCC1CC1N2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
SMYD3 Q9H7B4 1/20 0.39
NPC1 O15118 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PLAU P00749 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL666973 0.85 MTNR1A (0.40) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL19774297 0.84 MTNR1A (0.47) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL21400551 0.81 LMNA (0.47) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL23657803 0.81 MTNR1A (0.39) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL3522990 0.79 LMNA (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL3521800 0.78 LMNA (0.44) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL13305784 0.72 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL483233 0.72 SMYD3 (0.48) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL2697405 0.72 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL8771344 0.72 MTNR1A (0.42) MTNR1ASMYD3NPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 US disclosed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 EP disclosed
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
WO-2014059265-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2014-04-17 WO disclosed
EP-2606049-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN Albany Molecular Research, Inc. (US) 2013-06-26 EP disclosed
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 US disclosed
WO-2012024397-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-23 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 (3 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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A MTNR1A 443/4885SMYD3 1827/4885NPC1 3150/4885
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin HTR2B, HTR1B, HTR5A MTNR1A 129/4885SMYD3 1005/4885NPC1 709/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R MTNR1A 948/4885SMYD3 1812/4885NPC1 4225/4885

“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.