SCHEMBL6853816

SCHEMBL6853816

O=C(O)CC1CN(CC2CC2)c2cc(NC(=O)CCCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.35
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ITGAV P06756 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
DGAT1 O75907 1/20 0.32

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
SCHEMBL6860149 0.98 RORC (0.35) RORCMAPTALOX15SMN1; SMN2ITGB3
SCHEMBL6860119 0.96 RORC (0.34) RORCMAPTALOX15SMN1; SMN2ITGB3
SCHEMBL6860075 0.95 RORC (0.36) RORCITGB3ITGA2BITGAVDGAT1
SCHEMBL6854297 0.94 JAK2 (0.34) RORCMAPTALOX15SMN1; SMN2ITGB3
SCHEMBL6860658 0.92 RORC (0.34) RORCITGB3ITGA2BITGAVALDH1A1
SCHEMBL6860800 0.89 NPC1 (0.39) RORCMAPTALOX15SMN1; SMN2ITGB3
SCHEMBL6860087 0.89 RORC (0.39) RORCMAPTALOX15SMN1; SMN2ITGB3
SCHEMBL6860175 0.87 SMN1; SMN2 (0.38) RORCMAPTALOX15SMN1; SMN2ITGB3
SCHEMBL6854072 0.86 RORC (0.39) RORCMAPTALOX15SMN1; SMN2ITGB3
SCHEMBL6854387 0.86 ITGB3 (0.42) RORCITGB3ITGA2BITGAV

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US claimed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US claimed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 RORC 1719/4885MAPT 4808/4885ALOX15 1005/4885

“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.