SCHEMBL427328

SCHEMBL427328

COc1ccc(-c2cn(C(=O)N(C)C3CCNCC3)cn2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
CES2 O00748 1/20 0.46
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
MAP3K11 Q16584 2/20 0.36
PIK3CA P42336 1/20 0.36
STK17B O94768 1/20 0.35
NEK2 P51955 1/20 0.35
KIT P10721 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GAK O14976 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL424691 0.90 FAAH (0.56) FAAHCES2STK17BNEK2PDE4A
SCHEMBL16424116 0.89 FAAH (0.46) FAAHCES2SLC6A2SLC6A4STK17B
Hydrochloric Acid SCHEMBL16416787 0.88 FAAH (0.46) FAAHCES2SLC6A2SLC6A4STK17B
SCHEMBL428157 0.88 FAAH (0.46) FAAHCES2PIK3CANEK2KIT
SCHEMBL464456 0.88 FAAH (0.46) FAAHCES2SLC6A2SLC6A4STK17B
Hydrochloric Acid SCHEMBL446050 0.87 FAAH (0.45) FAAHCES2SLC6A2SLC6A4STK17B
SCHEMBL425329 0.86 FAAH (0.50) FAAHCES2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL445567 0.85 FAAH (0.49) FAAHCES2SLC6A2SLC6A4
SCHEMBL17828659 0.82 FAAH (0.53) FAAHCES2SLC6A2SLC6A4KCNH2
SCHEMBL428013 0.82 FAAH (0.53) FAAHCES2KCNH2

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
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885SLC6A2 1196/4885

“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.