SCHEMBL4152569

SCHEMBL4152569

O=C(NC1CCCCC1)N[C@@H](CC(Cl)Cl)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
BMP1 P13497 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CAPN1 P07384 2/20 0.39
CCR1 P32246 1/20 0.39
POLB P06746 1/20 0.38
CCR3 P51677 1/20 0.37
PPARG P37231 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EPHX1 P07099 1/20 0.35
OPRL1 P41146 1/20 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
SCHEMBL4127287 0.93 CAPN1 (0.47) EPHX2BMP1NPC1RAB9ACAPN1
SCHEMBL4131282 0.84 TRPV4 (0.44) RAB9ACAPN1CCR1PPARGALDH1A1
SCHEMBL4133234 0.81 CAPN1 (0.46) EPHX2NPC1RAB9ACAPN1POLB
SCHEMBL4130510 0.80 CAPN1 (0.47) EPHX2CAPN1CCR3CNR1CNR2
SCHEMBL4142973 0.80 CAPN1 (0.48) EPHX2BMP1NPC1RAB9ACAPN1
SCHEMBL4136304 0.80 CAPN1 (0.53) EPHX2BMP1NPC1CAPN1CCR1
SCHEMBL4141710 0.79 CAPN1 (0.49) BMP1NPC1RAB9ACAPN1CCR1
SCHEMBL4129767 0.79 CAPN1 (0.47) BMP1NPC1RAB9ACAPN1CCR1
SCHEMBL5434636 0.78 CAPN1 (0.51) EPHX2BMP1NPC1CAPN1CCR1
SCHEMBL4130820 0.78 CAPN1 (0.47) BMP1NPC1RAB9ACAPN1CCR1

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-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

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 EPHX2 2285/4885BMP1 2172/4885NPC1 1110/4885

“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.