SCHEMBL2336883

SCHEMBL2336883

c1ccc(CN2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
RECQL P46063 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
HRH3 Q9Y5N1 1/20 0.60
TRPV6 Q9H1D0 4/20 0.57
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.55
ACHE P22303 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 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 SCHEMBL2331568 0.98 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL13943667 0.98 SIGMAR1 (0.64) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL24163317 0.95 RECQL (0.69) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL16225992 0.94 KMT2A (0.59) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL4797625 0.91 SIGMAR1 (0.69) RECQLSMN1; SMN2SIGMAR1TRPV6TSHR
SCHEMBL5050001 0.90 L3MBTL3 (0.59) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL28851994 0.90 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL5052507 0.90 L3MBTL3 (0.59) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL3709310 0.89 RECQL (0.70) KDM4EALDH1A1RECQLSMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL3706762 0.88 RECQL (0.68) KDM4EALDH1A1RECQLSMN1; SMN2SIGMAR1

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 14 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
CN-1107060-C Piperazingl cyclohexanols and compositions containing same and use thereof BRISTOL MYERS SQUIBB CO (US) 2003-04-30 CN claimed
CN-1229796-A Piperazingl cyclohexanols and compositions containing same and use thereof BRISTOL MYERS SQUIBB CO (US) 1999-09-29 CN claimed
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 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
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
WO-2009021944-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 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 (4 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885ALDH1A1 1121/4885MEN1 2824/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 KDM4E 1755/4885ALDH1A1 1121/4885MEN1 2824/4885
US-20110263862-A1 PIPERIDINE DERIVATIVE, PIPERAZINE DERIVATIVE AND AGENT FOR TREATMENT OF DISEASE INVOLVING CENTRAL NERVOUS SYSTEM DISORDERS SIGMAR1, OPRL1, OPRK1 KDM4E 4119/4885ALDH1A1 671/4885MEN1 4042/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885ALDH1A1 1121/4885MEN1 2824/4885

“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.