SCHEMBL10192244

SCHEMBL10192244

CC(=O)NC1CC(C(C)(C)C)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.34
ATM Q13315 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6924104 0.84 PTGDR2 (0.54) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL6930798 0.84 PTGDR2 (0.54) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL24015488 0.80 PTGDR2 (0.50) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL7526613 0.80 PTGDR2 (0.50) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL15578425 0.78 PTGDR2 (0.52) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL13165574 0.77 MTNR1A (0.47) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL8457592 0.77 PTGDR2 (0.48) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL24011021 0.74 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL10246689 0.74 PTGDR2 (0.46) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1
SCHEMBL8503088 0.73 PTGDR2 (0.45) PTGDR2MTNR1AMTNR1BSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 PTGDR2 1286/4885MTNR1A 1225/4885MTNR1B 978/4885

“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.