SCHEMBL6705579

SCHEMBL6705579

CC(c1cccc(C#N)c1)N1CCN(c2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.47
ADRA1A P35348 2/20 0.47
ADRA2B P18089 1/20 0.47
ADRA1B P35368 1/20 0.47
VNN1 O95497 2/20 0.45
ACKR3 P25106 2/20 0.42
PARP14 Q460N5 3/20 0.42
PARP10 Q53GL7 3/20 0.42
MGLL Q99685 2/20 0.42
SOS1 Q07889 1/20 0.41
NAMPT P43490 2/20 0.41
PANK3 Q9H999 1/20 0.40
AOC3 Q16853 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL6708152 0.82 CYP2D6 (0.56)
SCHEMBL6705835 0.81 OPRD1 (0.41) VNN1PARP14PARP10MGLLNAMPT
SCHEMBL6706030 0.80 MAPT (0.49) ADRA1DADRA1AADRA1BACKR3
SCHEMBL6698019 0.77 NAMPT (0.62) PARP14PARP10NAMPTPARP1
SCHEMBL6694937 0.75 ITGB3 (0.56)
SCHEMBL24628679 0.75 HPGDS (0.45) PARP14PARP10AOC3PARP1
Hydrochloric Acid SCHEMBL6700195 0.74 ITGB3 (0.55)
SCHEMBL6698110 0.74 ALDH1A1 (0.55)
SCHEMBL6706867 0.74 HSD11B1 (0.48) PARP14PARP10
SCHEMBL6706780 0.74 PANK3 (0.49) ACKR3NAMPTPANK3

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-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-05 US disclosed
EP-1289971-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001092241-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-06 WO 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-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors APOB, APOL1, CETP ADRA1D 1573/4885ADRA1A 1350/4885ADRA2B 2346/4885

“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.