SCHEMBL244172

SCHEMBL244172

O=C1NC2(CCCCC2)C(=O)N1c1ccc(Cl)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.64
POLB P06746 1/20 0.58
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.44
RAD51 Q06609 1/20 0.42
KMT2A Q03164 3/20 0.42
PDE7A Q13946 2/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL240825 0.79 POLB (0.73) ARPOLBNPC1RAB9AKMT2A
SCHEMBL3174399 0.76 AR (0.46) ARPOLBNPC1RAB9AALDH1A1
SCHEMBL242118 0.75 SLC6A3 (0.40) ARRAD51KMT2ASLC6A3
SCHEMBL243499 0.75 AR (0.54) ARPOLBNPC1RAB9AALDH1A1
SCHEMBL13879418 0.74 POLB (0.66) ARPOLBNPC1RAB9AALDH1A1
SCHEMBL241468 0.74 OPRL1 (0.42) ARSLC6A3
SCHEMBL13879402 0.74 AR (0.53) ARPOLBNPC1RAB9AALDH1A1
SCHEMBL3956206 0.73 POLB (0.73) ARPOLBNPC1RAB9AALDH1A1
SCHEMBL242688 0.72 POLB (0.68) ARPOLBNPC1RAB9AALDH1A1
SCHEMBL13879569 0.72 POLB (0.54) ARPOLBNPC1RAB9AKMT2A

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 AR 1477/4885POLB 4061/4885NPC1 43/4885

“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.