SCHEMBL4807638

SCHEMBL4807638

CCC[C@H](O)CCN(CC(C)(C)N)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
FFAR1 O14842 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3229224 0.79 CHRM1 (0.37) FFAR4FFAR1CHRM1AKR1A1CHRM3
SCHEMBL4806735 0.79
SCHEMBL18281108 0.78 CA12 (0.44) HDAC1HDAC2
SCHEMBL686798 0.76 CCR6 (0.40) TDP1
SCHEMBL1963655 0.72 FFAR4 (0.32) FFAR4ACACBACACAFFAR1CHRM1
SCHEMBL6079293 0.70 CHRM1 (0.38) FFAR4FFAR1CHRM1AKR1A1CHRM3
SCHEMBL3228571 0.66 LMNA (0.32)
SCHEMBL15855762 0.65 FDPS (0.43) FFAR4FFAR1CHRM1AKR1A1CHRM3
SCHEMBL29232764 0.65 FDPS (0.43) FFAR4FFAR1CHRM1AKR1A1CHRM3
SCHEMBL30575792 0.65 FDPS (0.43) FFAR4FFAR1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863333-B2 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20080113976-A1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7317019-B2 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO. (US) 2008-01-08 US disclosed
US-20050065147-A1 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-24 US disclosed
US-20050043392-A1 Lactams of alkylated acyclic diamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 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 (3 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-20080113976-A1 N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCR1, CCR2 FFAR4 212/4885ACACB 2006/4885ACACA 1621/4885
US-20050065147-A1 N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 FFAR4 212/4885ACACB 2006/4885ACACA 1621/4885
US-20050043392-A1 Lactams of alkylated acyclic diamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 FFAR4 511/4885ACACB 1415/4885ACACA 841/4885

“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.