SCHEMBL10253152

SCHEMBL10253152

CC(C)c1ccc(NC(=O)N2CCCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
POLB P06746 1/20 0.57
PANK3 Q9H999 10/20 0.55
CNR2 P34972 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.51
FAAH O00519 1/20 0.51
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL14597010 0.94 NPC1 (0.69) NPC1RAB9APOLBPANK3SMN1; SMN2
SCHEMBL104337 0.87 RAB9A (0.75) NPC1RAB9APANK3CNR2SMN1; SMN2
SCHEMBL4559943 0.87 NPC1 (0.75) NPC1RAB9APANK3CNR2SMN1; SMN2
SCHEMBL2027079 0.81 POLB (0.85) NPC1RAB9APOLBSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL23246043 0.80 NPC1 (0.70) NPC1RAB9APOLBPANK3SMN1; SMN2
SCHEMBL13595575 0.79 POLB (0.61) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL6764523 0.79 NPC1 (0.71) NPC1RAB9APANK3SMN1; SMN2MAPT
SCHEMBL104605 0.79 NPC1 (0.71) NPC1RAB9APANK3SMN1; SMN2MAPT
SCHEMBL3072567 0.78 MAPT (0.59) POLBCNR2MAPTKMT2AFAAH
SCHEMBL2399070 0.78 POLB (0.61) NPC1RAB9APOLBPANK3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 US disclosed
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 US disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 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 (6 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 NPC1 189/4885RAB9A 3971/4885POLB 1599/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 NPC1 189/4885RAB9A 3971/4885POLB 1599/4885
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NPC1 1425/4885RAB9A 2182/4885POLB 4259/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 NPC1 900/4885RAB9A 1504/4885POLB 1901/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 NPC1 189/4885RAB9A 3971/4885POLB 1599/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 NPC1 900/4885RAB9A 1504/4885POLB 1901/4885

“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.