SCHEMBL4128352

SCHEMBL4128352

CC(C)NC(=O)N(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C[C@@H](O)CN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
CCR1 P32246 1/20 0.41
KMT2A Q03164 3/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4128358 1.00 GAA (0.43) GAAHPGDCCR1KMT2ACNR1
SCHEMBL4140486 0.89 CCR1 (0.49) CCR1KMT2ACNR1CNR2ALDH1A1
SCHEMBL4140483 0.86 CCR1 (0.41) GAACCR1KMT2ACNR1CNR2
SCHEMBL4141073 0.84 POLB (0.39) GAACCR1KMT2ACNR1CNR2
SCHEMBL4141078 0.84 POLB (0.39) GAACCR1KMT2ACNR1CNR2
SCHEMBL4136813 0.82 TRPV4 (0.40) GAAHPGDCCR1ALDH1A1
SCHEMBL13872501 0.79 CCR1 (0.48) GAAHPGDCCR1KMT2ACNR1
SCHEMBL4135431 0.78 TRPV4 (0.41) GAAKMT2AALDH1A1NPSR1
SCHEMBL4136055 0.77 GAA (0.40) GAAHPGDCCR1CNR1CNR2
SCHEMBL4773183 0.77 GAA (0.40) GAAHPGDCCR1CNR1CNR2

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 GAA 3715/4885HPGD 1044/4885CCR1 766/4885

“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.