SCHEMBL5434633

SCHEMBL5434633

CC(C)C[C@H](N)C(=O)N(CCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)Cc1cc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.42
BMP1 P13497 1/20 0.38
CCR1 P32246 1/20 0.34
ADAM17 P78536 1/20 0.34
CNR2 P34972 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
GAA P10253 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
KCNA5 P22460 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5434628 0.79 TRPV4 (0.52) TRPV4BMP1CCR1ADAM17TAS1R3
SCHEMBL4142306 0.76 BMP1 (0.37) TRPV4BMP1CCR1ADAM17GAA
SCHEMBL5437706 0.76 KMT2A (0.43) TRPV4BMP1CCR1ADAM17KCNA5
SCHEMBL4128100 0.76 PIN1 (0.39) TRPV4CCR1
SCHEMBL4152821 0.73 TRPV4 (0.45) TRPV4GAA
SCHEMBL4147519 0.73 TRPV4 (0.66) TRPV4BMP1TAS1R3TAS1R1
SCHEMBL5434875 0.73 TRPV4 (0.66) TRPV4BMP1TAS1R3TAS1R1
SCHEMBL5435367 0.69 BMP1 (0.40) TRPV4BMP1CCR1ADAM17ALDH1A1
SCHEMBL5439595 0.69 CNR2 (0.37) CNR2
SCHEMBL4139661 0.68 TRPV4 (0.42) TRPV4GAAALDH1A1KMT2A

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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US claimed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 TRPV4 1/4885BMP1 1833/4885CCR1 511/4885

“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.