SCHEMBL6907072

SCHEMBL6907072

O=C([C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
GRIN2B Q13224 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5345594 0.88 POLB (0.56) POLBRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL9640983 0.88 POLB (0.56) POLBRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL10595784 0.88 POLB (0.56) POLBRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL6679116 0.87 TACR3 (0.51) SMN1; SMN2L3MBTL1CYP2C19
SCHEMBL6691355 0.85 ALDH1A1 (0.46) POLBSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL7142421 0.85 ALDH1A1 (0.46) POLBSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL31662033 0.85 MEN1 (0.60) POLBRAB9ASMN1; SMN2NPC1GRIN2B
SCHEMBL8880296 0.85 POLB (0.49) POLBRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL8880304 0.85 POLB (0.49) POLBRAB9ASMN1; SMN2NPC1CYP2C19
SCHEMBL4224751 0.84 PREP (0.62) RAB9ASMN1; SMN2NPC1L3MBTL1

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 3 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
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

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 POLB 1654/4885RAB9A 2932/4885SMN1; SMN2 114/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 POLB 2573/4885RAB9A 3063/4885SMN1; 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.