SCHEMBL2330002

SCHEMBL2330002

c1ccc(CCCN2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.67
TMEM97 Q5BJF2 1/20 0.60
ABCB1 P08183 1/20 0.56
LTA4H P09960 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56

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 SCHEMBL2328647 0.98 SIGMAR1 (0.65) SIGMAR1TMEM97ABCB1LTA4H
SCHEMBL1299275 0.98 SIGMAR1 (0.69) SIGMAR1TMEM97LTA4H
Hydrochloric Acid SCHEMBL1298985 0.97 SIGMAR1 (0.67) SIGMAR1TMEM97LTA4H
SCHEMBL2331362 0.91 MAPT (0.67) SIGMAR1TMEM97HRH3
Hydrochloric Acid SCHEMBL2332802 0.89 MAPT (0.65) SIGMAR1TMEM97HRH3
SCHEMBL13004967 0.85 KDM4E (0.62) SIGMAR1HRH3
SCHEMBL16225992 0.82 KMT2A (0.59) SIGMAR1HRH3
SCHEMBL2166450 0.82 SIGMAR1 (0.67) SIGMAR1
SCHEMBL6550825 0.82 SIGMAR1 (1.00) SIGMAR1LTA4H
SCHEMBL2962629 0.82 SIGMAR1 (1.00) SIGMAR1LTA4H

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 10 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-20230257350-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION THE CLEVELAND CLINIC FOUNDATION 2023-08-17 US disclosed
US-20230257350-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION THE CLEVELAND CLINIC FOUNDATION 2023-08-17 US disclosed
WO-2022006518-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION THE CLEVELAND CLINIC FOUNDATION (US) 2022-01-06 WO 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
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 (2 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-20230257350-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION CHAT, DCX, GAP43 SIGMAR1 4523/4885TMEM97 3333/4885ABCB1 4318/4885
US-20110263862-A1 PIPERIDINE DERIVATIVE, PIPERAZINE DERIVATIVE AND AGENT FOR TREATMENT OF DISEASE INVOLVING CENTRAL NERVOUS SYSTEM DISORDERS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885TMEM97 4/4885ABCB1 696/4885

“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.