SCHEMBL4128100

SCHEMBL4128100

N[C@@H](Cc1ccccc1)C(=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)c1cc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.39
TRPV4 Q9HBA0 3/20 0.38
TACR2 P21452 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CCR1 P32246 1/20 0.36
ACKR3 P25106 1/20 0.36
NPY2R P49146 2/20 0.36
OPRM1 P35372 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 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
SCHEMBL4128102 0.85 TRPM8 (0.40) PIN1TRPV4TACR2TRPM8CCR1
SCHEMBL13872662 0.81 TRPV4 (0.52) TRPV4TACR2
SCHEMBL5434633 0.76 TRPV4 (0.42) TRPV4CCR1
SCHEMBL4139617 0.74 TRPV4 (0.48) PIN1TRPV4TACR2OPRM1
SCHEMBL4142306 0.73 BMP1 (0.37) TRPV4CCR1
SCHEMBL14606010 0.73 RAB9A (0.47) TRPV4CCR1ACKR3OPRM1HDAC3
SCHEMBL4135447 0.72 TRPV4 (0.57) PIN1TRPV4TACR2OPRM1
SCHEMBL4136338 0.71 TRPV4 (0.54) PIN1TRPV4TACR2OPRM1
SCHEMBL4147519 0.71 TRPV4 (0.66) PIN1TRPV4OPRM1
SCHEMBL4133530 0.71 TRPV4 (0.48) PIN1TRPV4TACR2CCR1OPRM1

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 PIN1 978/4885TRPV4 1/4885TACR2 268/4885

“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.