SCHEMBL243441

SCHEMBL243441

COC(=O)C1(N=C=O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7547696 0.98 NPSR1 (0.47) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL1274800 0.79 NPSR1 (0.52) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL1274802 0.79 NPSR1 (0.52) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL7836602 0.76 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4187606 0.75 CYP2C19 (0.35)
SCHEMBL4099215 0.73 NPSR1 (0.46) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL4435261 0.73 NPSR1 (0.46) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL14475938 0.69 CHRM1 (0.33) NPSR1LMNA
SCHEMBL3815495 0.69 CYP3A4 (0.33) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL28107550 0.68 ALDH1A1 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS AHMAD NADIA MAMOONA (GB) 2012-01-05 US disclosed
US-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS AHMAD NADIA MAMOONA (GB) 2012-01-05 US disclosed
US-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS AHMAD NADIA MAMOONA (GB) 2012-01-05 US disclosed
EP-2121624-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092878-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092878-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 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 (1 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-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC1A2, SLC1A1, SLC18A2 NPSR1 646/4885MAPT 185/4885CYP4F2 416/4885

“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.