SCHEMBL6662234

SCHEMBL6662234

CCN1CCCC[C@H]1C(=O)N1CCN(c2ccccc2C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MCHR1 Q99705 6/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPBWR1 P48145 5/20 0.45
MC4R P32245 1/20 0.45
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NR4A1 P22736 1/20 0.41
ESR2 Q92731 1/20 0.41
PREP P48147 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL6908480 0.81 MCHR1 (0.59) MCHR1MEN1KMT2ANPBWR1MAPT
Hydrochloric Acid SCHEMBL6658636 0.81 MCHR1 (0.59) MCHR1MEN1KMT2ANPBWR1MAPT
SCHEMBL11892976 0.77 CPT2 (0.62) LMNAKMT2AMAPTNPSR1ALDH1A1
SCHEMBL6662239 0.77 BLM (0.52) TSHRMCHR1MEN1KMT2AALDH1A1
SCHEMBL27556511 0.75 MCHR1 (0.53) TSHRMCHR1LMNAMEN1KMT2A
SCHEMBL6663904 0.75 KMT2A (0.57) TSHRMCHR1LMNAMEN1KMT2A
SCHEMBL6905958 0.75 KMT2A (0.57) TSHRMCHR1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL27506135 0.75 MCHR1 (0.43) MCHR1MEN1KMT2ANPBWR1ALDH1A1
SCHEMBL6682276 0.74 NPSR1 (0.64) LMNAMEN1KMT2AMAPTNPSR1
SCHEMBL6676908 0.74 NPSR1 (0.64) LMNAMEN1KMT2AMAPTNPSR1

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 TSHR 3761/4885MCHR1 3019/4885LMNA 2715/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 TSHR 4102/4885MCHR1 2349/4885LMNA 3377/4885

“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.