SCHEMBL5248573

SCHEMBL5248573

Cc1ccc(C(=O)CN2CCC(CN3Cc4ccccc4C3=O)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.81
HTR2A P28223 1/20 0.81
TMEM97 Q5BJF2 1/20 0.81
PARP1 P09874 3/20 0.51
PARP2 Q9UGN5 2/20 0.51
ACHE P22303 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PREP P48147 2/20 0.43
DPP4 P27487 1/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Hydrochloric Acid SCHEMBL5251886 0.99 HTR1A (0.79) HTR1AHTR2ATMEM97PARP1PARP2
SCHEMBL5250232 0.91 HTR1A (0.84) HTR1AHTR2ATMEM97PARP1ACHE
Hydrochloric Acid SCHEMBL5250528 0.90 HTR1A (0.82) HTR1AHTR2ATMEM97PARP1ACHE
Roluperidone SCHEMBL5252391 0.89 HTR2A (1.00) HTR1AHTR2ATMEM97PARP1ACHE
SCHEMBL5248922 0.89 HTR2A (0.81) HTR1AHTR2ATMEM97PARP1PARP2
SCHEMBL5253797 0.89 HTR1A (0.76) HTR1AHTR2ATMEM97ACHERAB9A
SCHEMBL5248309 0.89 HTR1A (0.70) HTR1AHTR2ATMEM97PARP1PARP2
Roluperidone SCHEMBL5248131 0.88 HTR2A (0.98) HTR1AHTR2ATMEM97ACHERAB9A
Hydrochloric Acid SCHEMBL5249785 0.88 HTR2A (0.79) HTR1AHTR2ATMEM97PARP1ACHE
Hydrochloric Acid SCHEMBL5247921 0.88 HTR1A (0.75) HTR1AHTR2ATMEM97ACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135286-B1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA AND SYMPTOMS THEREOF MINERVA NEUROSCIENCES INC (US) 2023-09-06 EP disclosed
US-20230201184-A1 COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA MINERVA NEUROSCIENCES, INC. 2023-06-29 US disclosed
US-20230190726-A1 COMPOSITIONS AND METHODS FOR TREATING NEGATIVE SYMPTOMS IN NON-SCHIZOPHRENIC PATIENTS MINERVA NEUROSCIENCES, INC. 2023-06-22 US disclosed
EP-4070794-A2 METHODS OF USE CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR-MEDIATED DISORDERS Minerva Neurosciences, Inc. (US) 2022-10-12 EP disclosed
WO-2020041504-A1 USE OF ROLUPERIDONE TO TREAT NEGATIVE SYMPTOMS AND DISORDERS, INCREASE NEUROPLASTICITY, AND PROMOTE NEUROPROTECTION MINERVA NEUROSCIENCES, INC. (US) 2020-02-27 WO disclosed
EP-3335731-A1 USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SLEEP DISORDERS Minerva Neurosciences, Inc. (US) 2018-06-20 EP disclosed
US-20180155318-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CYRENAIC PHARMACEUTICALS, INC. 2018-06-07 US disclosed
US-20180153871-A1 COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA MINERVA NEUROSCIENCES, INC. 2018-06-07 US disclosed
US-9730920-B2 Compositions and methods for treating schizophrenia MINERVA NEUROSCIENCES, INC. (US) 2017-08-15 US disclosed
US-20170042877-A1 COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA MINERVA NEUROSCIENCES, INC. 2017-02-16 US disclosed
US-20160354357-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR MEDIATED DISORDERS CYRENAIC PHARMACEUTICALS, INC. 2016-12-08 US disclosed
US-9458130-B2 Compositions and methods for treating schizophrenia MINERVA NEUROSCIENCES, INC. (US) 2016-10-04 US disclosed
US-20160152597-A1 COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA MINERVA NEUROSCIENCES, INC. 2016-06-02 US disclosed
US-20130274289-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CYRENAIC PHARMACEUTICALS, INC. 2013-10-17 US disclosed
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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 (9 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-20180153871-A1 COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA GRIN2C, HTR2C, COMT HTR1A 16/4885HTR2A 14/4885TMEM97 2177/4885
US-20230190726-A1 COMPOSITIONS AND METHODS FOR TREATING NEGATIVE SYMPTOMS IN NON-SCHIZOPHRENIC PATIENTS GBA2, NEFM, SLC6A3 HTR1A 184/4885HTR2A 161/4885TMEM97 2511/4885
US-20180155318-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CHAT, GRIN2A, GRIN2C HTR1A 423/4885HTR2A 159/4885TMEM97 1376/4885
US-20230201184-A1 COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA GRIN2C, HTR2C, DBH HTR1A 19/4885HTR2A 14/4885TMEM97 1984/4885
US-20160152597-A1 COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA GRIN2C, HTR2C, COMT HTR1A 16/4885HTR2A 14/4885TMEM97 2177/4885
US-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 79/4885HTR2A 153/4885TMEM97 10/4885
US-20160354357-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR MEDIATED DISORDERS SIGMAR1, CNR2, HCRTR2 HTR1A 28/4885HTR2A 4/4885TMEM97 31/4885
US-20170042877-A1 COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA GRIN2C, HTR2C, COMT HTR1A 16/4885HTR2A 14/4885TMEM97 2177/4885
US-20130274289-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CHAT, GRIN2A, GRIN2C HTR1A 423/4885HTR2A 159/4885TMEM97 1376/4885

“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.