SCHEMBL5434829

SCHEMBL5434829

CC(C)C[C@H](NC(=O)CCCCC1CCCCC1)C(=O)NCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.44
BMP1 P13497 1/20 0.42
REN P00797 2/20 0.41
BCHE P06276 1/20 0.41
CCR1 P32246 1/20 0.40
CTSL P07711 1/20 0.40
NMT2 O60551 2/20 0.40
NMT1 P30419 2/20 0.40
ADAM17 P78536 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
GRIN1 Q05586 1/20 0.38

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
SCHEMBL5434781 0.98 CAPN1 (0.44) CAPN1BMP1RENBCHECCR1
SCHEMBL4129767 0.94 CAPN1 (0.47) CAPN1BMP1RENBCHECCR1
SCHEMBL4130820 0.93 CAPN1 (0.47) CAPN1BMP1RENBCHECCR1
SCHEMBL5439623 0.91 CAPN1 (0.47) CAPN1BMP1RENBCHECCR1
SCHEMBL5429199 0.90 CAPN1 (0.47) CAPN1BMP1RENBCHECCR1
SCHEMBL4142973 0.89 CAPN1 (0.48) CAPN1BMP1RENBCHECCR1
SCHEMBL4141710 0.88 CAPN1 (0.49) CAPN1BMP1RENBCHECCR1
SCHEMBL4128185 0.86 CAPN1 (0.46) CAPN1BMP1RENBCHECCR1
SCHEMBL4140786 0.85 TRPV4 (0.44) CAPN1RENBCHECCR1CTSL
SCHEMBL5434636 0.85 CAPN1 (0.51) CAPN1BMP1CCR1CTSLADAM17

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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US claimed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 CAPN1 2884/4885BMP1 1833/4885REN 863/4885

“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.