SCHEMBL427958

SCHEMBL427958

CCN(C(=O)n1cnc(-c2ccc(OC(F)F)cc2)c1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.48
FAAH O00519 2/20 0.45
CES2 O00748 1/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DDHD2 O94830 1/20 0.38
ATM Q13315 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TSHR P16473 3/20 0.36
MDM2 Q00987 1/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2R P25116 1/20 0.36
SMYD2 Q9NRG4 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
SCHEMBL427856 0.88 FAAH (0.58) SMN1; SMN2ALDH1A1FAAHCES2MEN1
SCHEMBL427646 0.87 FAAH (0.48) FAAHCES2HSP90AA1TSHR
SCHEMBL427562 0.82 FAAH (0.56) ALDH1A1FAAHCES2MEN1KMT2A
SCHEMBL425994 0.82 FAAH (0.47) FAAHCES2MEN1KMT2AATM
SCHEMBL424654 0.80 TSHR (0.48) FAAHCES2MEN1KMT2ATSHR
SCHEMBL425897 0.80 FAAH (0.47) ALDH1A1FAAHCES2MEN1KMT2A
SCHEMBL425912 0.80 FAAH (0.49) SMN1; SMN2ALDH1A1FAAHCES2MEN1
SCHEMBL428153 0.78 FAAH (0.52) SMN1; SMN2ALDH1A1FAAHCES2MEN1
SCHEMBL424902 0.78 FAAH (0.47) ALDH1A1FAAHCES2
SCHEMBL428158 0.75 FAAH (0.78) ALDH1A1FAAHCES2MEN1KMT2A

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 SMN1; SMN2 2818/4885ALDH1A1 294/4885FAAH 1/4885

“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.