SCHEMBL6665111

SCHEMBL6665111

O=C([C@@H]1CCCN1CCc1ccccc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.53
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
FAAH O00519 1/20 0.50
RAB9A P51151 1/20 0.49

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
SCHEMBL6665553 1.00 CCR3 (0.53) CCR3ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6658773 0.92 ALDH1A1 (0.50) CCR3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6660026 0.88 MCHR1 (0.54) CCR3ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6907385 0.86 MCHR1 (0.53) CCR3ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6657132 0.86 MCHR1 (0.53) CCR3ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6908728 0.86 MCHR1 (0.53) CCR3ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6910059 0.85 CYP2C9 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6657440 0.85 CYP2C9 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL13700884 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL6908737 0.83 CYP2C9 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHTT

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 7 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
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 CCR3 2940/4885ALDH1A1 1047/4885SMN1; SMN2 114/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 CCR3 4424/4885ALDH1A1 2371/4885SMN1; SMN2 4853/4885

“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.