SCHEMBL391394

SCHEMBL391394

COc1ccc(-c2nc(C)cc(NCCN3CCOCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ATM Q13315 1/20 0.54
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 3/20 0.52
HPGD P15428 2/20 0.52
TLR9 Q9NR96 4/20 0.51
USP2 O75604 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
TSHR P16473 2/20 0.48
PI4KB Q9UBF8 1/20 0.48

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
SCHEMBL390113 0.86 CHRM1 (0.61) HSD17B10ALDH1A1KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL9013614 0.85 CHRM1 (0.60) HSD17B10ALDH1A1KDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL9013522 0.78 ESR1 (0.53)
SCHEMBL11793994 0.78 HSD17B10 (0.58) HSD17B10ALDH1A1KDM4ELMNAMAPT
SCHEMBL15581731 0.78 TLR9 (0.63) HSD17B10ALDH1A1KDM4ELMNAMAPT
SCHEMBL24784178 0.76 NPC1 (0.56) HSD17B10ALDH1A1KDM4ELMNAMAPT
SCHEMBL30133010 0.76 NPC1 (0.56) HSD17B10ALDH1A1KDM4ELMNAMAPT
SCHEMBL2234820 0.75 ALDH1A1 (0.52) HSD17B10ALDH1A1KDM4ELMNAMAPT
SCHEMBL2234822 0.75 TLR8 (0.54) HSD17B10ALDH1A1KDM4ELMNAMAPT
SCHEMBL11800152 0.75 MAPT (0.60) HSD17B10ALDH1A1KDM4ELMNAMAPT

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
US-8101626-B2 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
EP-2253311-A2 Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, as well as combination therapy relating thereto Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-7816364-B2 GRP119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto ARENA PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. 2009-10-29 US disclosed
EP-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
US-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed
CN-1059908-A Pyrimidine derivatives and medicine thereof NIPPON SHINYAKU CO LTD (JP) 1992-04-01 CN 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 (2 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-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto GPR119, GLP1R, GPR4 HSD17B10 2119/4885ALDH1A1 2608/4885KDM4E 987/4885
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto GPR119, GLP1R, GPR4 HSD17B10 2119/4885ALDH1A1 2608/4885KDM4E 987/4885

“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.