SCHEMBL4133200

SCHEMBL4133200

CC(C)C[C@H](NC(=O)C1Cc2ccccc2N1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.48
BMP1 P13497 1/20 0.44
TRPV4 Q9HBA0 1/20 0.41
CTSL P07711 4/20 0.39
CCR1 P32246 1/20 0.38
ADAM17 P78536 1/20 0.37
CTSD P07339 1/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
KCNA5 P22460 1/20 0.35
CACNA1B Q00975 2/20 0.34
REN P00797 1/20 0.34
MCL1 Q07820 1/20 0.34
NPY5R Q15761 1/20 0.33

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
SCHEMBL4142864 0.88 CAPN1 (0.51) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL4128798 0.84 CAPN1 (0.47) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL4136304 0.82 CAPN1 (0.53) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL13872553 0.82 CAPN1 (0.48) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL4133361 0.82 CAPN1 (0.46) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL5434636 0.81 CAPN1 (0.51) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL4130678 0.79 BMP1 (0.44) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL4141710 0.79 CAPN1 (0.49) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL4142973 0.78 CAPN1 (0.48) CAPN1BMP1TRPV4CTSLCCR1
SCHEMBL4139727 0.78 BMP1 (0.47) CAPN1BMP1TRPV4CTSLCCR1

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 2031/4885BMP1 2172/4885TRPV4 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.