SCHEMBL2989802

SCHEMBL2989802

COc1ccc(C(N)CC#N)cc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.61
PDE4B Q07343 5/20 0.61
PDE4D Q08499 4/20 0.61
PDE4C Q08493 3/20 0.61

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
SCHEMBL20459355 0.86 PDE4A (0.62) PDE4APDE4BPDE4DPDE4C
SCHEMBL4637252 0.85 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL6585871 0.85 PDE4A (0.61) PDE4APDE4BPDE4DPDE4C
SCHEMBL2990812 0.84 PDE4A (0.52) PDE4APDE4BPDE4DPDE4C
SCHEMBL7325901 0.83 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL4816554 0.83 PDE4A (0.71) PDE4APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL7325827 0.82 PDE4A (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL7435222 0.81 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL8574011 0.81 PDE4A (0.52) PDE4APDE4BPDE4DPDE4C
SCHEMBL8573504 0.80 PDE4A (0.58) PDE4APDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 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 (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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 PDE4A 2306/4885PDE4B 2498/4885PDE4D 3630/4885

“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.