SCHEMBL240825

SCHEMBL240825

O=C1NC2(CCCCC2)C(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
AR P10275 2/20 0.58
FPR2 P25090 1/20 0.50
PGR P06401 2/20 0.49
AKR1B1 P15121 1/20 0.49
ELANE P08246 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PDE7A Q13946 2/20 0.44

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
SCHEMBL13879418 0.95 POLB (0.66) POLBNPC1RAB9AARFPR2
SCHEMBL3956206 0.83 POLB (0.73) POLBNPC1RAB9AARFPR2
SCHEMBL3960645 0.81 POLB (0.71) POLBNPC1RAB9AARFPR2
SCHEMBL242108 0.80 POLB (0.72) POLBNPC1RAB9AARAKR1B1
SCHEMBL242688 0.80 POLB (0.68) POLBNPC1RAB9AARKMT2A
SCHEMBL13879569 0.79 POLB (0.54) POLBNPC1RAB9AARFPR2
SCHEMBL244172 0.79 AR (0.64) POLBNPC1RAB9AARKMT2A
SCHEMBL13879402 0.78 AR (0.53) POLBNPC1RAB9AARPGR
SCHEMBL13879542 0.77 POLB (0.65) POLBNPC1RAB9AARELANE
SCHEMBL11461814 0.77 AR (0.64) POLBARPGRELANEKMT2A

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 6 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

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 POLB 4061/4885NPC1 43/4885RAB9A 1583/4885

“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.