SCHEMBL464456

SCHEMBL464456

COc1ccc(-c2cn(C(=O)N(C)C3CCNCC3)cn2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
CES2 O00748 1/20 0.46
KDM1A O60341 6/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
PLAT P00750 1/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 3/20 0.37
KIF11 P52732 2/20 0.37

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 SCHEMBL446050 0.99 FAAH (0.45) FAAHCES2KDM1ASLC6A2SLC6A4
SCHEMBL427920 0.91 FAAH (0.55) FAAHCES2GRIN1GRIN2BNPC1
SCHEMBL425833 0.90 FAAH (0.56) FAAHCES2GRIN1GRIN2BNPC1
SCHEMBL16424116 0.89 FAAH (0.46) FAAHCES2SLC6A2SLC6A4GRIN1
SCHEMBL427345 0.88 FAAH (0.46) FAAHCES2GRIN1GRIN2BNPC1
Hydrochloric Acid SCHEMBL16416787 0.88 FAAH (0.46) FAAHCES2SLC6A2SLC6A4GRIN1
SCHEMBL427328 0.88 FAAH (0.46) FAAHCES2SLC6A2SLC6A4KCNH2
SCHEMBL424244 0.87 FAAH (0.48) FAAHCES2PLATGRIN2BKCNH2
SCHEMBL424915 0.86 FAAH (0.44) FAAHCES2GRIN1GRIN2BNPC1
SCHEMBL425329 0.86 FAAH (0.50) FAAHCES2KDM1ASLC6A2SLC6A4

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
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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 (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 62/4885KDM1A 1476/4885

“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.