SCHEMBL3609026

SCHEMBL3609026

CCCC(=O)Nc1ccc2c(c1)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
PTPRC P08575 2/20 0.39
TP53 P04637 4/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 2/20 0.37
ESRRA P11474 1/20 0.37
THRB P10828 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL3602995 0.87 HPGD (0.39) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL4043216 0.75 ESR1 (0.34) ALDH1A1HPGDTP53SMN1; SMN2MAPT
SCHEMBL3599011 0.74 ABCB1 (0.41) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL3610547 0.74 RAB9A (0.32) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL19002582 0.74 TP53 (0.68) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3603597 0.73 MAPT (0.33) ALDH1A1RAB9AKDM4ETP53NPC1
SCHEMBL3596490 0.72 MAPT (0.37) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL3592061 0.72 HTR2B (0.33) ALDH1A1LMNAKDM4ETP53PKM
SCHEMBL17781644 0.71 HPGD (0.45) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL3608081 0.69 ABCB1 (0.33) TP53MAPT

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 ALDH1A1 1463/4885HPGD 1416/4885MEN1 3532/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885HPGD 1416/4885MEN1 3532/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885HPGD 1416/4885MEN1 3532/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885HPGD 1416/4885MEN1 3532/4885

“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.