SCHEMBL8007642

SCHEMBL8007642

NC(=O)Nc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.72
TSHR P16473 2/20 0.61
POLB P06746 1/20 0.61
HSD17B10 Q99714 1/20 0.60
ABCB1 P08183 4/20 0.59
GAA P10253 1/20 0.59
KCNH2 Q12809 1/20 0.58
DRD2 P14416 1/20 0.56
SCN1A P35498 1/20 0.55
SCN5A Q14524 1/20 0.55
SCN9A Q15858 1/20 0.55
CARM1 Q86X55 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
KMT2A Q03164 1/20 0.53

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
SCHEMBL12577227 0.90 TSHR (0.74) DRD4TSHRPOLBHSD17B10ABCB1
SCHEMBL7999064 0.83 DRD4 (0.86) DRD4TSHRPOLBHSD17B10ABCB1
SCHEMBL12577241 0.82 DRD4 (0.84) DRD4TSHRPOLBABCB1GAA
SCHEMBL2021188 0.81 KCNH2 (0.81) TSHRHSD17B10ABCB1KCNH2KMT2A
SCHEMBL2014909 0.81 KCNH2 (0.81) TSHRHSD17B10ABCB1KCNH2KMT2A
SCHEMBL2014914 0.81 KCNH2 (0.81) TSHRHSD17B10ABCB1KCNH2KMT2A
SCHEMBL2021951 0.81 TSHR (0.59) TSHRPOLBHSD17B10ABCB1GAA
SCHEMBL2023333 0.81 TSHR (0.59) TSHRPOLBHSD17B10ABCB1GAA
SCHEMBL2021955 0.81 TSHR (0.59) TSHRPOLBHSD17B10ABCB1GAA
SCHEMBL15586458 0.81 DRD4 (0.57) DRD4TSHRHSD17B10ABCB1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 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-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 DRD4 264/4885TSHR 407/4885POLB 2966/4885

“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.