SCHEMBL5439623

SCHEMBL5439623

CC(C)C[C@H](NC(=O)CCC1CC1)C(=O)NCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.47
BMP1 P13497 1/20 0.44
CTSL P07711 5/20 0.42
ADAM17 P78536 1/20 0.42
CCR1 P32246 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
CACNA1B Q00975 2/20 0.38
BCHE P06276 1/20 0.36
REN P00797 1/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
OPRL1 P41146 2/20 0.35

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
SCHEMBL4130820 0.95 CAPN1 (0.47) CAPN1BMP1CTSLADAM17CCR1
SCHEMBL4129767 0.94 CAPN1 (0.47) CAPN1BMP1CTSLADAM17CCR1
SCHEMBL5434781 0.92 CAPN1 (0.44) CAPN1BMP1CTSLADAM17CCR1
SCHEMBL5434829 0.91 CAPN1 (0.44) CAPN1BMP1CTSLADAM17CCR1
SCHEMBL5429199 0.88 CAPN1 (0.47) CAPN1BMP1CTSLADAM17CCR1
SCHEMBL4147709 0.86 TRPV4 (0.44) CAPN1CTSLCCR1TRPV4BCHE
SCHEMBL4141710 0.86 CAPN1 (0.49) CAPN1BMP1CTSLADAM17CCR1
SCHEMBL5439592 0.86 CAPN1 (0.45) CAPN1CTSLCACNA1BBCHEREN
SCHEMBL4140786 0.86 TRPV4 (0.44) CAPN1CTSLCCR1TRPV4BCHE
SCHEMBL4142973 0.86 CAPN1 (0.48) CAPN1BMP1CTSLADAM17CCR1

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 1833/4885CTSL 1399/4885

“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.