SCHEMBL3606148

SCHEMBL3606148

CCCCC(=O)Nc1c(C)c(C)c2c(c1C)C(c1ccc(C)cc1)C(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.36
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3609448 0.97 GAA (0.37) HPGDPOLBMAPTALDH1A1L3MBTL1
SCHEMBL3605928 0.94 ADORA3 (0.36) HPGDPOLBMAPTALDH1A1KDM4E
SCHEMBL3602363 0.90 POLB (0.35) HPGDPOLBALDH1A1L3MBTL1KDM4E
SCHEMBL4088002 0.84 CYP2C19 (0.36) ALDH1A1HDAC4CYP1A2CYP2C9CYP2C19
SCHEMBL3599858 0.84 ALDH1A1 (0.44) HPGDPOLBMAPTALDH1A1CYP1A2
SCHEMBL3603904 0.78 RAB9A (0.32) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL3611032 0.78 NLRP3 (0.39) MAPTLMNAHDAC1HDAC8CYP2D6
SCHEMBL3604067 0.76 HPGD (0.38) HPGDMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL4812992 0.76 L3MBTL1 (0.30) L3MBTL1
SCHEMBL3601766 0.76 KCNQ2 (0.36) HPGDMAPTALDH1A1L3MBTL1KDM4E

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 HPGD 1416/4885POLB 3511/4885MAPT 4392/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885POLB 3511/4885MAPT 4392/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885POLB 3511/4885MAPT 4392/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HPGD 1416/4885POLB 3511/4885MAPT 4392/4885

“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.