SCHEMBL4729928

SCHEMBL4729928

COc1ccc(-c2cccnc2)cc1CNC1CCC(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TACR1 P25103 2/20 0.46
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
MAPK1 P28482 3/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43
CYP11B1 P15538 4/20 0.43

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
Hydrochloric Acid SCHEMBL4732441 0.89 TACR1 (0.46) TACR1CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL4731822 0.83 MKNK1 (0.43) TACR1CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL4731818 0.82 MKNK1 (0.43) TACR1CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL12678778 0.81 KDM4D (0.46) KDM1ATACR1MKNK1MKNK2WNT1
SCHEMBL4784323 0.81 KDM4D (0.46) KDM1ATACR1MKNK1MKNK2WNT1
SCHEMBL12541877 0.79 TACR1 (0.41) TACR1CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL12541882 0.79 TACR1 (0.41) TACR1CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL12541879 0.79 TACR1 (0.41) TACR1CYP1A2CYP3A4HSD17B10CYP2D6
SCHEMBL12678567 0.79 GPR119 (0.42) KDM1ATACR1CYP1A2CYP3A4HSD17B10
SCHEMBL14111221 0.78 MKNK1 (0.41) TACR1CYP1A2CYP3A4HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO 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 (3 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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO KDM1A 298/4885MAOA 3987/4885MAOB 3894/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO KDM1A 298/4885MAOA 3987/4885MAOB 3894/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO KDM1A 124/4885MAOA 2268/4885MAOB 2160/4885

“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.