SCHEMBL4913644

SCHEMBL4913644

COc1ccc(CNC(=O)c2ccc(CN(C(=O)C3CCCC3)C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
CHRM3 P20309 1/20 0.44
REN P00797 1/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4922331 0.98 SMN1; SMN2 (0.46) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4916484 0.97 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4923881 0.91 LMNA (0.49) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4916432 0.90 LMNA (0.48) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4913819 0.90 ALDH1A1 (0.57) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4924928 0.89 OPRM1 (0.50) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4924246 0.89 KDM4E (0.52) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4924914 0.89 LMNA (0.49) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4914010 0.89 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1POLBGAA
SCHEMBL4917345 0.89 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2008-04-03 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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity CCR1, CCR3, CCR2 LMNA 2533/4885SMN1; SMN2 3688/4885ALDH1A1 1255/4885

“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.