SCHEMBL3603904

SCHEMBL3603904

Cc1c(C)c2c(c(C)c1NC(=O)CCCl)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3610547 0.93 RAB9A (0.32) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL3602363 0.89 POLB (0.35) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL4092709 0.86 TP53 (0.31) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL3609776 0.86 KCNQ2 (0.35) SMN1; SMN2MAPTTP53THRBALDH1A1
SCHEMBL6016079 0.84 RAB9A (0.41) RAB9ANPC1LMNAALDH1A1L3MBTL1
SCHEMBL2911192 0.84 ALDH1A1 (0.41) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL3599745 0.83 RAB9A (0.40) RAB9ANPC1LMNAALDH1A1L3MBTL1
SCHEMBL3605928 0.82 ADORA3 (0.36) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL3606335 0.82 KCNQ2 (0.35) SMN1; SMN2MAPTTP53THRBALDH1A1
SCHEMBL2912995 0.82 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2MAPTNPC1LMNA

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 RAB9A 631/4885SMN1; SMN2 4180/4885MAPT 4392/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 RAB9A 631/4885SMN1; SMN2 4180/4885MAPT 4392/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 RAB9A 631/4885SMN1; SMN2 4180/4885MAPT 4392/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 RAB9A 631/4885SMN1; SMN2 4180/4885MAPT 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.