SCHEMBL425871

SCHEMBL425871

CN(C(=O)n1cnc(-c2ccccc2)c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.51
CES2 O00748 1/20 0.46
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 4/20 0.41
HSD11B1 P28845 2/20 0.41
PIN1 Q13526 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL427545 0.94 FAAH (0.47) FAAHCES2TSHRUSP2TP53
SCHEMBL427551 0.90 FAAH (0.42) FAAHCES2TSHRUSP2TP53
SCHEMBL427135 0.90 TSHR (0.58) FAAHCES2TSHRUSP2TP53
SCHEMBL425848 0.88 FAAH (0.41) FAAHCES2TSHRUSP2TP53
SCHEMBL427136 0.87 USP2 (0.44) FAAHCES2TSHRUSP2TP53
SCHEMBL427544 0.86 FAAH (0.46) FAAHTSHRALOX15LMNAMEN1
SCHEMBL425928 0.86 TSHR (0.43) FAAHCES2TSHRUSP2TP53
SCHEMBL427564 0.86 FAAH (0.40) FAAHCES2TSHRUSP2TP53
SCHEMBL425904 0.86 FAAH (0.66) FAAHCES2TSHRUSP2TP53
SCHEMBL424646 0.86 USP2 (0.43) FAAHCES2TSHRUSP2TP53

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 62/4885TSHR 2673/4885

“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.