SCHEMBL841009

SCHEMBL841009

CC(C)(C)[C@@]1(C(N)=O)CC[C@@H](c2ccc(O)cc2)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.36
PRKCZ Q05513 6/20 0.34
LMNA P02545 1/20 0.34
ESR2 Q92731 4/20 0.33
RIPK1 Q13546 3/20 0.33
ESR1 P03372 2/20 0.32
PRMT5 O14744 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL310431 1.00 PDE5A (0.36) PDE5APRKCZLMNAESR2RIPK1
SCHEMBL839486 1.00 PDE5A (0.36) PDE5APRKCZLMNAESR2RIPK1
SCHEMBL840063 0.82 KCNH2 (0.48) LMNAKDM4EALDH1A1MAOB
SCHEMBL310889 0.82 KCNH2 (0.48) LMNAKDM4EALDH1A1MAOB
SCHEMBL2831517 0.80 ESR2 (0.39) PDE5ALMNAESR2ESR1KDM4E
SCHEMBL4765128 0.80 ESR2 (0.39) PDE5ALMNAESR2ESR1KDM4E
SCHEMBL839659 0.78 KCNH2 (0.56) MAOB
SCHEMBL840054 0.78 KCNH2 (0.56) MAOB
SCHEMBL310423 0.78 KCNH2 (0.56) MAOB
SCHEMBL1104538 0.72 GPR119 (0.37) PDE5ALMNAESR2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153681-B2 Method of treating epilepsy by administering 5-(4{[(2-fluorophenyl)methyl]oxy}phenyl)prolinamide Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-20110098335-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-04-28 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-20110098335-A1 NOVEL COMPOUNDS SCN1A, SCN1B, SCNN1B PDE5A 625/4885PRKCZ 2115/4885LMNA 1692/4885

“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.