SCHEMBL4133648

SCHEMBL4133648

CC(C)C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.48
CTSS P25774 3/20 0.48
CTSK P43235 3/20 0.48
CTSB P07858 1/20 0.48
TRPV4 Q9HBA0 2/20 0.44
CCR1 P32246 1/20 0.44
DDR1 Q08345 5/20 0.42
AVPR1A P37288 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL13872567 1.00 CTSL (0.48) CTSLCTSSCTSKCTSBTRPV4
SCHEMBL4770685 0.82 CTSK (0.44) CTSLCTSSCTSKTRPV4CCR1
SCHEMBL4127687 0.80 SMN1; SMN2 (0.49) CTSLCTSSCTSKTRPV4CCR1
SCHEMBL13872529 0.80 SMN1; SMN2 (0.49) CTSLCTSSCTSKTRPV4CCR1
SCHEMBL4133641 0.78 CCR1 (0.40) TRPV4CCR1DDR1AVPR1AHDAC6
SCHEMBL4142303 0.77 CAPN1 (0.48) CTSLCTSSCTSKTRPV4CCR1
SCHEMBL4136044 0.77 TRPV4 (0.52) CTSLCTSSCTSKTRPV4CCR1
SCHEMBL4139657 0.76 CAPN1 (0.51) CTSLCTSSCTSKCTSBTRPV4
SCHEMBL4139857 0.76 TRPV4 (0.55) CTSLCTSSCTSKCTSBTRPV4
SCHEMBL4136113 0.75 TRPV4 (0.49) CTSLCTSSCTSKTRPV4CCR1

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 2 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

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 CTSL 3815/4885CTSS 3772/4885CTSK 3473/4885

“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.