SCHEMBL4063937

SCHEMBL4063937

CC1CCC(O)(C(CC(O)C(N)Cc2ccccc2OC(F)(F)F)C(=O)NO)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SCN9A Q15858 10/20 0.36
VNN1 O95497 1/20 0.35
TACR1 P25103 1/20 0.35
PPARG P37231 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
NTRK1 P04629 1/20 0.34
CACNA1C Q13936 2/20 0.34
CYP2C9 P11712 2/20 0.33
EPHX2 P34913 2/20 0.33
CYP2J2 P51589 2/20 0.33
CYP3A4 P08684 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL4073411 0.85 DPP4 (0.38)
SCHEMBL4063940 0.84 REN (0.38) SCN9AVNN1PPARGEPHX2CYP3A4
SCHEMBL2675968 0.82 MMP1 (0.40)
SCHEMBL7590174 0.82 MMP1 (0.40)
SCHEMBL4064242 0.80 ANPEP (0.36)
SCHEMBL4071311 0.79 CCR1 (0.45) SLC6A2SLC6A4SCN9AVNN1HDAC3
SCHEMBL4072973 0.78 HTT (0.41) SLC6A2SLC6A4CYP2C9CYP3A4
SCHEMBL4059273 0.77 SMN1; SMN2 (0.39) HDAC1HDAC6LNPEP
SCHEMBL4058790 0.77 SLC6A2 (0.34) SLC6A2SLC6A4SCN9AVNN1PPARG
SCHEMBL4063105 0.76 ANPEP (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 SLC6A2 4660/4885SLC6A4 3845/4885SCN9A 3701/4885

“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.