SCHEMBL3596444

SCHEMBL3596444

Cc1ccc(C2COc3c(C)c(C)c(N)c(C)c32)nc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3603953 0.84 CCR1 (0.33) CCR1CCR5CCR8HDAC6
SCHEMBL3602187 0.80 CCR1 (0.33) CCR1CCR5CCR8HDAC6
SCHEMBL3598591 0.79 CYP19A1 (0.39)
SCHEMBL3598812 0.74 HTT (0.35) NOS2
SCHEMBL3598700 0.73 CYP19A1 (0.38)
SCHEMBL3598314 0.72 KCNQ2 (0.38)
SCHEMBL3601683 0.71
SCHEMBL3602781 0.69 ALDH1A1 (0.32)
SCHEMBL3601467 0.68 CYP19A1 (0.32)
SCHEMBL13822243 0.66 TAAR1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US claimed
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 (5 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 NOS3 2492/4885NOS2 1947/4885CCR1 1650/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NOS3 2492/4885NOS2 1947/4885CCR1 1650/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NOS3 2492/4885NOS2 1947/4885CCR1 1650/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC NOS3 2601/4885NOS2 2367/4885CCR1 4339/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NOS3 2492/4885NOS2 1947/4885CCR1 1650/4885

“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.