SCHEMBL3599545

SCHEMBL3599545

CCCC(=O)Nc1c(C)c2c(c(C(C)c3ccc(C(C)C)cc3)c1C)OCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.39
MTNR1A P48039 7/20 0.37
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL3601107 0.87 KCNQ2 (0.36) KMT2AMEN1HSD17B10
SCHEMBL3597317 0.84 MTNR1B (0.45) MTNR1BMTNR1AKDM4EMAPTRAB9A
SCHEMBL3603139 0.77 HPGD (0.35) MTNR1BKDM4EMAPTHDAC3HDAC4
SCHEMBL3606739 0.75 SLC5A2 (0.36) MTNR1BMTNR1ARAB9AKMT2AMEN1
SCHEMBL3608779 0.72 SLC5A1 (0.30)
SCHEMBL3599627 0.71 KCNQ2 (0.35) MTNR1BMTNR1ARAB9A
SCHEMBL3609487 0.70 KCNQ2 (0.34) ALDH1A1LMNA
SCHEMBL3603285 0.69 RAB9A (0.33) KDM4EMAPTRAB9AALDH1A1KMT2A
SCHEMBL3605118 0.67 CYP2D6 (0.36) RAB9AALDH1A1KMT2AMEN1LMNA
SCHEMBL4087573 0.67 SLC5A2 (0.36) RAB9AKMT2AMEN1HSD17B10SMN1; SMN2

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 10 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-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 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
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 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-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB MTNR1B 1396/4885MTNR1A 1561/4885KDM4E 1162/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 MTNR1B 100/4885MTNR1A 75/4885KDM4E 737/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MTNR1B 100/4885MTNR1A 75/4885KDM4E 737/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MTNR1B 100/4885MTNR1A 75/4885KDM4E 737/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MTNR1B 100/4885MTNR1A 75/4885KDM4E 737/4885

“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.