SCHEMBL3609252

SCHEMBL3609252

Cc1c(NC(=O)CC(C)(C)C)cc2c(c1C)O[C@H](C)[C@@H]2c1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BRD4 O60885 8/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL3609258 1.00 HTT (0.35) HTTSMN1; SMN2BRD4MEN1HPGD
SCHEMBL3609254 1.00 HTT (0.35) HTTSMN1; SMN2BRD4MEN1HPGD
SCHEMBL3603872 0.82 L3MBTL1 (0.35) HTTSMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3603869 0.82 L3MBTL1 (0.35) HTTSMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3603873 0.82 L3MBTL1 (0.35) HTTSMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3603627 0.80 LMNA (0.35) HTTSMN1; SMN2BRD4MEN1HPGD
SCHEMBL3604915 0.79 HTT (0.34) HTTSMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3604952 0.74 LMNA (0.34) HTTSMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3598680 0.74 MAPT (0.37) SMN1; SMN2BRD4MEN1KMT2AL3MBTL1
SCHEMBL3598678 0.74 MAPT (0.37) SMN1; SMN2BRD4MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 HTT 4582/4885SMN1; SMN2 4180/4885BRD4 63/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTT 4582/4885SMN1; SMN2 4180/4885BRD4 63/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTT 4582/4885SMN1; SMN2 4180/4885BRD4 63/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTT 4582/4885SMN1; SMN2 4180/4885BRD4 63/4885

“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.