SCHEMBL6733962

SCHEMBL6733962

CCCNC(=O)CCNCCNC(=O)CCN

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.40
MCL1 Q07820 1/20 0.40
SLC6A5 Q9Y345 2/20 0.40
CNR1 P21554 1/20 0.39
NAAA Q02083 1/20 0.38
CTSD P07339 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37
FAAH O00519 3/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR2 O60603 1/20 0.36
PAOX Q6QHF9 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3208249 0.88
SCHEMBL6733595 0.85 MCL1 (0.47) CASP2MCL1CNR1NAAACTSD
SCHEMBL22580327 0.85 CASP2 (0.42) CASP2MCL1SLC6A5CNR1NAAA
SCHEMBL14134978 0.85 PAOX (0.42) CASP2MCL1SLC6A5CNR1NAAA
SCHEMBL889215 0.84 PAOX (0.48) CASP2MCL1CNR1NAAACTSD
SCHEMBL19524588 0.82 CA5B (0.50) CASP2SLC6A5ALDH1A1CYP3A4CYP2D6
SCHEMBL12640030 0.82 CA5B (0.50) CASP2SLC6A5ALDH1A1CYP3A4CYP2D6
SCHEMBL13033276 0.81 CASP2 (0.57) CASP2SLC6A5NAAACTSDALDH1A1
SCHEMBL13033271 0.81 CASP2 (0.57) CASP2SLC6A5NAAACTSDALDH1A1
SCHEMBL13033278 0.81 CASP2 (0.57) CASP2SLC6A5NAAACTSDALDH1A1

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
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 CASP2 3579/4885MCL1 505/4885SLC6A5 4128/4885

“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.