SCHEMBL243541

SCHEMBL243541

O=C1NC2(CCCCC2)CN1c1ccc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.46
OPRM1 P35372 6/20 0.46
PDE7A Q13946 2/20 0.41
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
CCR2 P41597 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
AKR1B1 P15121 1/20 0.35

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
SCHEMBL242117 0.77 OPRL1 (0.45) OPRL1OPRM1
SCHEMBL241468 0.76 OPRL1 (0.42) OPRL1OPRM1
SCHEMBL243499 0.74 AR (0.54) PDE7AAKR1B1
SCHEMBL2699875 0.68 P2RX7 (0.46)
SCHEMBL3958965 0.65 OPRL1 (0.45) OPRL1OPRM1
SCHEMBL240013 0.65 OPRL1 (0.62) OPRL1OPRM1
SCHEMBL29932228 0.65 ALDH1A1 (0.61)
SCHEMBL31442447 0.64 ALDH1A1 (0.51) CCR2CCR1CCR5
SCHEMBL10911510 0.64 ALDH1A1 (0.51) CCR2CCR1CCR5
SCHEMBL31713613 0.64 ROCK2 (0.38)

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 OPRL1 263/4885OPRM1 554/4885PDE7A 3739/4885

“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.