SCHEMBL18538176

SCHEMBL18538176

COC(=O)CC(C(=O)N1CC2(CCCN2C(=O)OCc2ccccc2)C1=O)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
SCHEMBL17070985 0.86 GRIN2B (0.40) GRIN2BGRIN2C
SCHEMBL22213480 0.85 GRIN2B (0.38) GRIN2BGRIN2C
SCHEMBL17030274 0.84 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL16646195 0.84 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL12047518 0.84 CTSL (0.41)
SCHEMBL12028815 0.83
SCHEMBL7933725 0.83 CTSL (0.46) RAB9A
SCHEMBL7932040 0.83 CTSL (0.46) RAB9A
SCHEMBL12028816 0.82 SLC15A1 (0.39)
SCHEMBL20126634 0.78 MEN1 (0.44) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049845-A1 METHODS OF TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, AUTISM, OR OTHER DISORDERS INNOVIVA TRC HOLDINGS LLC 2017-02-23 US disclosed
US-20170049845-A1 METHODS OF TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, AUTISM, OR OTHER DISORDERS INNOVIVA TRC HOLDINGS LLC 2017-02-23 US disclosed
US-9512133-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2016-12-06 US disclosed
US-20150336969-A1 NMDA Receptor Modulators and Uses Thereof NAUREX, INC. 2015-11-26 US disclosed
US-20150253305-A1 METHODS OF IDENTIFYING COMPOUNDS FOR TREATING DEPRESSION AND OTHER RELATED DISEASES NORTHWESTERN UNIVERSITY 2015-09-10 US disclosed
US-20150105364-A1 NMDA Receptor Modulators and Uses Thereof NORTHWESTERN UNIVERSITY (US) 2015-04-16 US disclosed
US-20110306586-A1 NMDA Receptor Modulators and Uses Thereof NAUREX, INC. 2011-12-15 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 (4 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-20170049845-A1 METHODS OF TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, AUTISM, OR OTHER DISORDERS GRIN2A, GRIN3A, GRIN1 HTT 29/4885NPC1 1273/4885RAB9A 2278/4885
US-20150336969-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A HTT 956/4885NPC1 1109/4885RAB9A 2386/4885
US-20150105364-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A HTT 956/4885NPC1 1109/4885RAB9A 2386/4885
US-20110306586-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A HTT 956/4885NPC1 1109/4885RAB9A 2386/4885

“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.