SCHEMBL6662239

SCHEMBL6662239

CCN1CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.52
FASN P49327 1/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ACHE P22303 1/20 0.50
SLC18A3 Q16572 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MCHR1 Q99705 1/20 0.47

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 SCHEMBL6655911 0.86 KMT2A (0.50) FASNALDH1A1KDM4EPOLBL3MBTL1
Hydrochloric Acid SCHEMBL6906622 0.86 KMT2A (0.50) FASNALDH1A1KDM4EPOLBL3MBTL1
Hydrochloric Acid SCHEMBL6658636 0.84 MCHR1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2MCHR1
Hydrochloric Acid SCHEMBL6908480 0.84 MCHR1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2MCHR1
SCHEMBL6905958 0.82 KMT2A (0.57) HPGDALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL6663904 0.82 KMT2A (0.57) HPGDALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL6676908 0.81 NPSR1 (0.64) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL6676904 0.81 NPSR1 (0.64) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL6682276 0.81 NPSR1 (0.64) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL6908737 0.80 CYP2C9 (0.54) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
CN-1210274-C Piperazine and piperidine derivatives VERTEX PHARMA (US) 2005-07-13 CN disclosed
EP-1441728-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY Vertex Pharmaceuticals Incorporated (US) 2004-08-04 EP disclosed
US-20040034019-A1 Piperazine and piperidine derivatives VERTEX PHARMACEUTICALS INCORPORATED 2004-02-19 US disclosed
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway VERTEX PHARMACEUTICALS, INCORPORATED 2003-10-09 US disclosed
WO-2003037338-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-08 WO disclosed
CN-1404477-A Piperazine and piperidine derivatives VERTEX PHARMA (US) 2003-03-19 CN disclosed
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 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 (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-20040034019-A1 Piperazine and piperidine derivatives GAP43, BDNF, NGF BLM 4197/4885FASN 2518/4885HPGD 515/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 BLM 4527/4885FASN 55/4885HPGD 733/4885

“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.