SCHEMBL315112

SCHEMBL315112

COc1ccc2c(c1)NCC(C)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
MAPKAPK2 P49137 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SNCA P37840 1/20 0.40
PDE7A Q13946 2/20 0.40

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
SCHEMBL315114 1.00 PDE3B (0.48) PDE3BPDE3AMAPKAPK2BRD9MAOA
SCHEMBL315113 1.00 PDE3B (0.48) PDE3BPDE3AMAPKAPK2BRD9MAOA
SCHEMBL11654866 0.95 PDE3B (0.47) PDE3BPDE3AMAPKAPK2BRD9MAOA
SCHEMBL315231 0.81 PDE3B (0.41) PDE3BPDE3AMAPKAPK2MAOAMAOB
SCHEMBL315232 0.81 PDE3B (0.41) PDE3BPDE3AMAPKAPK2MAOAMAOB
SCHEMBL315233 0.81 PDE3B (0.41) PDE3BPDE3AMAPKAPK2MAOAMAOB
SCHEMBL11661271 0.79 BRD9 (0.46) BRD9POLBCA1CA2HTR2C
SCHEMBL13729969 0.79 BRD9 (0.46) MAPKAPK2BRD9POLBCA1CA2
SCHEMBL11658276 0.77 PDE3B (0.40) PDE3BPDE3AMAPKAPK2MAOAMAOB
SCHEMBL16684900 0.77 HTR2C (0.55) PDE3BPDE3AMAPKAPK2MAOAMAOB

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-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US 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 (1 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 PDE3B 1435/4885PDE3A 1244/4885MAPKAPK2 317/4885

“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.