SCHEMBL4128102

SCHEMBL4128102

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
PIN1 Q13526 6/20 0.39
TRPV4 Q9HBA0 2/20 0.38
KIF11 P52732 1/20 0.36
CCR1 P32246 1/20 0.36
ACKR3 P25106 1/20 0.36
NPY2R P49146 2/20 0.36
OPRM1 P35372 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SLC9A1 P19634 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
TACR2 P21452 1/20 0.34

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
SCHEMBL4128100 0.85 PIN1 (0.39) TRPM8PIN1TRPV4CCR1ACKR3
SCHEMBL13872662 0.79 TRPV4 (0.52) TRPV4TACR2
SCHEMBL4139891 0.78 BMP1 (0.39) TRPV4CCR1ACKR3
SCHEMBL4136152 0.77 BMP1 (0.39) TRPV4CCR1CYP3A4CYP2C19
SCHEMBL4136278 0.75 BMP1 (0.39) TRPV4CCR1CYP3A4CYP2C19LPAR2
SCHEMBL4139617 0.74 TRPV4 (0.48) PIN1TRPV4OPRM1TACR2
SCHEMBL14606010 0.73 RAB9A (0.47) TRPV4CCR1ACKR3OPRM1HDAC3
SCHEMBL4135447 0.72 TRPV4 (0.57) PIN1TRPV4OPRM1TACR2
SCHEMBL5435367 0.72 BMP1 (0.40) TRPV4CCR1CYP3A4CYP2C19
SCHEMBL4136338 0.71 TRPV4 (0.54) PIN1TRPV4OPRM1TACR2

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 TRPM8 12/4885PIN1 978/4885TRPV4 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.