SCHEMBL2331362

SCHEMBL2331362

c1ccc(CCN2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
SIGMAR1 Q99720 4/20 0.64
HRH3 Q9Y5N1 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KDM4E B2RXH2 1/20 0.60
TSHR P16473 1/20 0.60
ACHE P22303 1/20 0.57
TMEM97 Q5BJF2 1/20 0.56
KMT2A Q03164 1/20 0.56
CCR3 P51677 1/20 0.55
L3MBTL3 Q96JM7 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MCOLN2 Q8IZK6 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
MCOLN1 Q9GZU1 1/20 0.54

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 SCHEMBL2332802 0.98 MAPT (0.65) MAPTSIGMAR1HRH3SLC6A3KDM4E
SCHEMBL2330002 0.91 SIGMAR1 (0.67) SIGMAR1HRH3TMEM97
Hydrochloric Acid SCHEMBL2328647 0.89 SIGMAR1 (0.65) SIGMAR1KDM4ETSHRTMEM97
SCHEMBL1299275 0.89 SIGMAR1 (0.69) MAPTSIGMAR1TMEM97L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL1298985 0.88 SIGMAR1 (0.67) MAPTSIGMAR1KDM4ETSHRTMEM97
SCHEMBL7441175 0.86 SIGMAR1 (0.66) MAPTSIGMAR1HRH3SLC6A3KDM4E
SCHEMBL16225992 0.84 KMT2A (0.59) SIGMAR1HRH3KDM4ETSHRKMT2A
SCHEMBL2336883 0.83 KDM4E (0.65) SIGMAR1HRH3KDM4ETSHRACHE
SCHEMBL27453569 0.83 MAPT (0.70) MAPTSIGMAR1SLC6A3KDM4ETSHR
SCHEMBL27429046 0.83 MAPT (0.74) MAPTSIGMAR1SLC6A3KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102197028-A Piperidine derivative and piperazine derivative, and therapeutic agent for diseases associated with central nervous system disorders MS SCIENCE CORP 2011-09-21 CN claimed
EP-2357171-A1 PIPERIDINE DERIVATIVE, PIPERAZINE DERIVATIVE AND AGENT FOR TREATMENT OF DISEASE INVOLVING CENTRAL NERVOUS SYSTEM DISORDERS M's Science Corporation (JP) 2011-08-17 EP claimed
US-20110263862-A1 PIPERIDINE DERIVATIVE, PIPERAZINE DERIVATIVE AND AGENT FOR TREATMENT OF DISEASE INVOLVING CENTRAL NERVOUS SYSTEM DISORDERS M'S SCIENCE CORPORATION (JP) 2011-10-27 US disclosed
US-20110263862-A1 PIPERIDINE DERIVATIVE, PIPERAZINE DERIVATIVE AND AGENT FOR TREATMENT OF DISEASE INVOLVING CENTRAL NERVOUS SYSTEM DISORDERS M'S SCIENCE CORPORATION (JP) 2011-10-27 US disclosed
US-20110263862-A1 PIPERIDINE DERIVATIVE, PIPERAZINE DERIVATIVE AND AGENT FOR TREATMENT OF DISEASE INVOLVING CENTRAL NERVOUS SYSTEM DISORDERS M'S SCIENCE CORPORATION (JP) 2011-10-27 US disclosed
CN-102197028-A Piperidine derivative and piperazine derivative, and therapeutic agent for diseases associated with central nervous system disorders MS SCIENCE CORP 2011-09-21 CN disclosed
EP-2357171-A1 PIPERIDINE DERIVATIVE, PIPERAZINE DERIVATIVE AND AGENT FOR TREATMENT OF DISEASE INVOLVING CENTRAL NERVOUS SYSTEM DISORDERS M's Science Corporation (JP) 2011-08-17 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 (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-20110263862-A1 PIPERIDINE DERIVATIVE, PIPERAZINE DERIVATIVE AND AGENT FOR TREATMENT OF DISEASE INVOLVING CENTRAL NERVOUS SYSTEM DISORDERS SIGMAR1, OPRL1, OPRK1 MAPT 848/4885SIGMAR1 1/4885HRH3 139/4885

“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.