SCHEMBL6663904

SCHEMBL6663904

CCN1CCCCC1C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 2/20 0.57
MCHR1 Q99705 1/20 0.55
ALDH1A1 P00352 7/20 0.53
LMNA P02545 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
TP53 P04637 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
SCHEMBL6905958 1.00 KMT2A (0.57) KMT2AMEN1TSHRMCHR1ALDH1A1
SCHEMBL11892987 0.91 KMT2A (0.55) KMT2AMEN1TSHRMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL6663643 0.88 NPBWR1 (0.55) TSHRMCHR1ALDH1A1POLBKDM4E
SCHEMBL6659429 0.88 L3MBTL1 (0.50) L3MBTL1
Hydrochloric Acid SCHEMBL6663247 0.88 NPBWR1 (0.55) TSHRMCHR1ALDH1A1POLBKDM4E
SCHEMBL27506526 0.88 KDM4E (0.51) KMT2AMEN1TSHRMCHR1ALDH1A1
SCHEMBL6908168 0.88 L3MBTL1 (0.50) L3MBTL1
SCHEMBL27531619 0.88 KDM4E (0.56) KMT2AALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL6664431 0.87 CHRM3 (0.53) KMT2AMEN1MCHR1ALDH1A1POLB
Hydrochloric Acid SCHEMBL6907290 0.87 CHRM3 (0.53) KMT2AMEN1MCHR1ALDH1A1POLB

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 5 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
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

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 KMT2A 2094/4885MEN1 3736/4885TSHR 3761/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 KMT2A 2315/4885MEN1 3768/4885TSHR 4102/4885

“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.