SCHEMBL5249167

SCHEMBL5249167

O=C(CN1CCC(CN2Cc3c(F)cccc3C2=O)CC1)c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.74
HTR1A P08908 1/20 0.74
TMEM97 Q5BJF2 1/20 0.74
HTR2C P28335 3/20 0.48
DRD2 P14416 2/20 0.48
HTR2B P41595 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KCNH2 Q12809 1/20 0.46
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
RAB9A P51151 1/20 0.41

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 SCHEMBL5249338 0.99 HTR2A (0.73) HTR2AHTR1ATMEM97HTR2CDRD2
SCHEMBL18294757 0.92 HTR2A (0.63) HTR2AHTR1ATMEM97HTR2CDRD2
SCHEMBL20274301 0.92 HTR2A (0.63) HTR2AHTR1ATMEM97HTR2CDRD2
SCHEMBL5253687 0.90 HTR2A (0.72) HTR2AHTR1ATMEM97HTR2CDRD2
Hydrochloric Acid SCHEMBL5249544 0.89 HTR2A (0.71) HTR2AHTR1ATMEM97HTR2CDRD2
SCHEMBL5256062 0.87 HTR2A (0.67) HTR2AHTR1ATMEM97HTR2CDRD2
Hydrochloric Acid SCHEMBL5251014 0.86 HTR2A (0.66) HTR2AHTR1ATMEM97HTR2CDRD2
Roluperidone SCHEMBL5252391 0.85 HTR2A (1.00) HTR2AHTR1ATMEM97HTR2CDRD2
Roluperidone SCHEMBL5248131 0.84 HTR2A (0.98) HTR2AHTR1ATMEM97HTR2CDRD2
Roluperidone SCHEMBL5253902 0.84 HTR2A (0.96) HTR2AHTR1ATMEM97HTR2CDRD2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP claimed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US claimed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US claimed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP claimed
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
EP-4070794-A2 METHODS OF USE CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR-MEDIATED DISORDERS Minerva Neurosciences, Inc. (US) 2022-10-12 EP disclosed
US-20210106573-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR MEDIATED DISORDERS MINERVA NEUROSCIENCES, INC. 2021-04-15 US disclosed
EP-3157926-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2019-05-15 EP disclosed
US-10179776-B2 Compounds and methods of use to treat schizophrenia INTRA-CELLULAR THERAPIES, INC. (US) 2019-01-15 US disclosed
US-20180155318-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CYRENAIC PHARMACEUTICALS, INC. 2018-06-07 US disclosed
US-20180155318-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CYRENAIC PHARMACEUTICALS, INC. 2018-06-07 US disclosed
US-9884872-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-02-06 US disclosed
US-20130274290-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR MEDIATED DISORDERS CYRENAIC PHARMACEUTICALS, INC. (US) 2013-10-17 US disclosed
US-20130274289-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CYRENAIC PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130274290-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR MEDIATED DISORDERS CYRENAIC PHARMACEUTICALS, INC. (US) 2013-10-17 US disclosed
WO-2012012542-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CYRENAIC PHARMACEUTICALS, INC. (US) 2012-01-26 WO 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 (6 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-20180155318-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CHAT, GRIN2A, GRIN2C HTR2A 159/4885HTR1A 423/4885TMEM97 1376/4885
US-10179776-B2 Compounds and methods of use to treat schizophrenia SIGMAR1, GRIN2C, OPRL1 HTR2A 78/4885HTR1A 66/4885TMEM97 39/4885
US-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR2A 153/4885HTR1A 79/4885TMEM97 10/4885
US-20210106573-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR MEDIATED DISORDERS SIGMAR1, CNR2, HCRTR2 HTR2A 4/4885HTR1A 28/4885TMEM97 31/4885
US-20130274290-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SIGMA RECEPTOR MEDIATED DISORDERS SIGMAR1, CNR2, HCRTR2 HTR2A 4/4885HTR1A 28/4885TMEM97 31/4885
US-20130274289-A1 METHODS OF USE OF CYCLIC AMIDE DERIVATIVES TO TREAT SCHIZOPHRENIA CHAT, GRIN2A, GRIN2C HTR2A 159/4885HTR1A 423/4885TMEM97 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.