SCHEMBL3605222

SCHEMBL3605222

COC(=O)c1cccc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.33
PFKFB3 Q16875 1/20 0.31
PFKFB4 Q16877 1/20 0.31
PRKDC P78527 1/20 0.31
KCNQ2 O43526 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
IL2 P60568 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
SCHEMBL3599503 0.94 HPGD (0.35) KMT2AHPGDNPC1RAB9A
SCHEMBL3594362 0.92 HPGD (0.35) KCNQ2MEN1KMT2AHPGDRAB9A
SCHEMBL3605965 0.90 MEN1 (0.33) KCNQ2MEN1KMT2A
SCHEMBL3594774 0.88 KCNQ2 (0.32) KCNQ2MEN1KMT2AHPGD
SCHEMBL3607058 0.88 KCNQ2 (0.40) KCNQ2MEN1KMT2AHPGD
SCHEMBL3587470 0.88 SMN1; SMN2 (0.34) KCNQ2MEN1KMT2AHPGDNPC1
SCHEMBL3600243 0.87 MEN1 (0.36) PRKDCMEN1KMT2AHPGDNPC1
SCHEMBL3593892 0.87 FFAR1 (0.31) KCNQ2MEN1KMT2AHPGD
SCHEMBL3598232 0.86 MEN1 (0.38) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL3599342 0.85 AKR1C3 (0.38) MEN1KMT2AHPGDNPC1RAB9A

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 NR1H4 179/4885PFKFB3 2925/4885PFKFB4 2756/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR1H4 179/4885PFKFB3 2925/4885PFKFB4 2756/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR1H4 179/4885PFKFB3 2925/4885PFKFB4 2756/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR1H4 179/4885PFKFB3 2925/4885PFKFB4 2756/4885

“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.