SCHEMBL348367

SCHEMBL348367

CC(C)(C)NC(=O)c1ccnc(CN2CCN(C(=O)c3cccc(F)c3NC(=O)NC3CCC3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.42
ALDH1A1 P00352 2/20 0.38
PRKAA2 P54646 4/20 0.38
PRKAB2 O43741 3/20 0.38
PRKAG1 P54619 3/20 0.38
PRKAA1 Q13131 3/20 0.38
PRKAG3 Q9UGI9 3/20 0.38
PRKAG2 Q9UGJ0 3/20 0.38
PRKAB1 Q9Y478 3/20 0.38
EPHX2 P34913 1/20 0.37
DRD4 P21917 2/20 0.37
CCR2 P41597 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CHRM2 P08172 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
SCHEMBL347706 0.85 ACKR3 (0.43) ACKR3ALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL1019654 0.76 ACKR3 (0.44) ACKR3ALDH1A1KDM4EHTT
SCHEMBL1018507 0.75 ACKR3 (0.46) ACKR3ALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL346910 0.75 ALDH1A1 (0.41) ACKR3ALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL1019797 0.75 FAAH (0.45) ACKR3ALDH1A1KDM4EHTTDCUN1D1
Hydrochloric Acid SCHEMBL1019762 0.74 FAAH (0.44) ACKR3ALDH1A1KDM4EHTTDCUN1D1
SCHEMBL3690780 0.74 KDM4E (0.47) ACKR3ALDH1A1KDM4EHTTTDP1
SCHEMBL12954974 0.74 DRD2 (0.47) ACKR3DRD4DCUN1D1
SCHEMBL347099 0.74 PRKAA2 (0.44) ACKR3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL1018193 0.73 DCUN1D1 (0.42) ACKR3ALDH1A1EPHX2KDM4EDCUN1D1

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-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 ACKR3 1675/4885ALDH1A1 1156/4885PRKAA2 4031/4885

“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.