SCHEMBL4128166

SCHEMBL4128166

CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.46
BCHE P06276 1/20 0.42
REN P00797 1/20 0.40
CNR2 P34972 6/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CNR1 P21554 4/20 0.38
CACNA1B Q00975 2/20 0.37
USP30 Q70CQ3 2/20 0.37
EPHX2 P34913 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 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
SCHEMBL4131294 0.99 CAPN1 (0.47) CAPN1BCHERENCNR2PSEN1
SCHEMBL5429669 0.98 CAPN1 (0.44) CAPN1BCHERENCNR2PSEN1
SCHEMBL5439592 0.98 CAPN1 (0.45) CAPN1BCHERENCNR2PSEN1
SCHEMBL4128693 0.90 CAPN1 (0.46) CAPN1BCHECNR2CNR1CACNA1B
SCHEMBL14605638 0.90 CAPN1 (0.46) CAPN1BCHECNR2CNR1CACNA1B
SCHEMBL4129767 0.90 CAPN1 (0.47) CAPN1BCHERENPSEN1PSEN2
SCHEMBL13872588 0.89 CAPN1 (0.46) CAPN1CNR2CNR1CACNA1BCTSL
SCHEMBL4130820 0.89 CAPN1 (0.47) CAPN1BCHERENPSEN1PSEN2
SCHEMBL4135412 0.88 CAPN1 (0.45) CAPN1BCHERENCNR2CNR1
SCHEMBL4128171 0.88 BCHE (0.41) CAPN1BCHERENCNR2PSEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CAPN1 2031/4885BCHE 3689/4885REN 2293/4885

“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.