SCHEMBL4598371

SCHEMBL4598371

Cc1ccc(C2=NC3(CCCCC3)NC2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
POLB P06746 1/20 0.70
RAB9A P51151 2/20 0.68
NEK2 P51955 7/20 0.65
ALDH1A1 P00352 1/20 0.59
AURKA O14965 1/20 0.50
CDK1 P06493 1/20 0.50
PLK1 P53350 1/20 0.50
NEK7 Q8TDX7 1/20 0.50
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12911751 0.98 POLB (0.72) TSHRPOLBRAB9ANEK2ALDH1A1
SCHEMBL951124 0.84 TSHR (0.72) TSHRPOLBRAB9ANEK2AURKA
SCHEMBL13059638 0.84 TSHR (0.72) TSHRPOLBRAB9ANEK2AURKA
SCHEMBL3306850 0.84 TSHR (0.72) TSHRPOLBRAB9ANEK2AURKA
SCHEMBL13272812 0.84 TSHR (1.00) TSHRPOLBRAB9ANEK2ALDH1A1
SCHEMBL2517729 0.84 TSHR (1.00) TSHRPOLBRAB9ANEK2ALDH1A1
SCHEMBL3570017 0.84 TSHR (0.67) TSHRPOLBRAB9ANEK2ALDH1A1
SCHEMBL4514851 0.83 POLB (0.72) TSHRPOLBRAB9ANEK2AURKA
SCHEMBL8085658 0.83 POLB (0.72) TSHRPOLBRAB9ANEK2AURKA
SCHEMBL3576095 0.83 POLB (0.72) TSHRPOLBRAB9ANEK2AURKA

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-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
EP-1910311-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-04-16 EP disclosed
WO-2007116061-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 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-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC6A3, SLC1A2 TSHR 824/4885POLB 4681/4885RAB9A 1394/4885
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC1A2, SLC1A1 TSHR 1437/4885POLB 4489/4885RAB9A 469/4885

“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.