SCHEMBL2978669

SCHEMBL2978669

CN1CCCC(Oc2cccc(C(=O)Nc3cc(C(=O)Nc4cc(F)cc(N5CCOCC5)c4)ccc3Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.50
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
PLAU P00749 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
CSF1R P07333 2/20 0.43

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
SCHEMBL7846051 0.93 OPRK1 (0.47) OPRK1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7606678 0.91 OPRK1 (0.58) OPRK1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2972292 0.83 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6476455 0.80 OPRK1 (0.61) OPRK1MAPK14CSF1RKDR
SCHEMBL2979404 0.79 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7809447 0.79 OPRK1 (0.56) OPRK1MAPK14CSF1RNTRK1KDR
SCHEMBL2980968 0.76 KCNQ3 (0.52) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7856772 0.76 MAPK14 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2969766 0.75 HDAC3 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28741190 0.75 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US claimed
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 OPRK1 1254/4885ALDH1A1 293/4885SMN1; SMN2 4288/4885

“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.