SCHEMBL3602534

SCHEMBL3602534

Cc1c(Br)c(C)c2c(C)coc2c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SLC5A1 P13866 1/20 0.31
IDO1 P14902 2/20 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
SCHEMBL3604344 0.85 KDM4E (0.36) KDM4EALDH1A1LMNAHPGDHTR1D
SCHEMBL3601020 0.81 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHTR1D
SCHEMBL3600065 0.74 MAOB (0.38) KDM4EALDH1A1LMNAHPGDNPC1
SCHEMBL3597294 0.73 KDM4E (0.34) KDM4EALDH1A1LMNAHPGDHTR1D
SCHEMBL3599910 0.71 ALDH1A1 (0.36) KDM4EALDH1A1LMNAHPGDHTR1D
SCHEMBL3597608 0.69 KDM4E (0.36) KDM4EALDH1A1LMNAHPGDSLC5A1
SCHEMBL3604919 0.67 SLC5A2 (0.43) ALDH1A1SLC5A1IDO1
SCHEMBL3598515 0.67 HTR2A (0.41) HTR1DHTR1BSLC5A1
SCHEMBL3595161 0.66 PTGS1 (0.40) HTR1DHTR1BNPC1RAB9ASLC5A1
SCHEMBL3599041 0.65 HTR1D (0.32) HTR1DHTR1BSLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP claimed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US claimed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 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 KDM4E 737/4885ALDH1A1 1463/4885LMNA 4417/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885LMNA 4417/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885LMNA 4417/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KDM4E 737/4885ALDH1A1 1463/4885LMNA 4417/4885
US-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL KDM4E 2096/4885ALDH1A1 71/4885LMNA 4095/4885

“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.