SCHEMBL427155

SCHEMBL427155

COc1cccc(-c2cn(C(=O)N(C)C3CCCC3)cn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.62
CES2 O00748 1/20 0.62
CACNA2D1 P54289 1/20 0.44
OPRK1 P41145 1/20 0.43
MCHR1 Q99705 1/20 0.43
TP53 P04637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
UCHL1 P09936 2/20 0.42
USP30 Q70CQ3 2/20 0.42

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
SCHEMBL424687 0.99 FAAH (0.64) FAAHCES2CACNA2D1OPRK1MCHR1
SCHEMBL424587 0.97 FAAH (0.62) FAAHCES2CACNA2D1OPRK1MCHR1
SCHEMBL425965 0.89 FAAH (0.61) FAAHCES2MCHR1NPC1RAB9A
SCHEMBL428187 0.88 FAAH (0.49) FAAHCES2CACNA2D1MCHR1NEK2
SCHEMBL425992 0.88 FAAH (0.62) FAAHCES2MCHR1NPC1RAB9A
SCHEMBL16433293 0.87 FAAH (0.48) FAAHCES2CACNA2D1OPRK1MCHR1
SCHEMBL14937997 0.87 NPY5R (0.53) FAAHCES2CACNA2D1MCHR1ALDH1A1
SCHEMBL427530 0.87 FAAH (0.60) FAAHCES2TP53ALDH1A1NPC1
SCHEMBL425912 0.86 FAAH (0.49) FAAHCES2CACNA2D1TP53ALDH1A1
SCHEMBL427420 0.86 FAAH (0.48) FAAHCES2CACNA2D1OPRK1MCHR1

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 2 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-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 62/4885CACNA2D1 3970/4885

“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.