Sugi Predict

Sugi Predict / Compounds / SCHEMBL6499754

SCHEMBL6499754

SCHEMBL6499754

CCOC1CCc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.42
▸ PNMT P11086 5/20 0.40
▸ ADRA2A P08913 3/20 0.40
▸ ADRA2B P18089 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ NPBWR1 P48145 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ CHRNB4 P30926 4/20 0.37
▸ CHRNA3 P32297 4/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL6493308 0.82 CYP3A4 (0.45) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL6492850 0.82 CYP3A4 (0.45) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL16650443 0.80 PNMT (0.46) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL10511215 0.78 CYP4F2 (0.66) CYP4F2CYP4A11MAPTKMT2AALDH1A1
SCHEMBL8426665 0.78 PNMT (0.41) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL13766521 0.77 DRD2 (0.48) ADRA2AADRA2BADRA2CCYP4F2CYP4A11
SCHEMBL6505635 0.76 MAPT (0.44) CYP4F2CYP4A11MAPTKMT2AALDH1A1
SCHEMBL6490826 0.75 MEN1 (0.41) GRIN2BPNMTADRA2ACHRNB4CHRNA3
SCHEMBL7390944 0.75 GRIN2B (0.41) GRIN2BPNMTADRA2AADRA2BADRA2C
SCHEMBL10508397 0.75 PNMT (0.48) GRIN2BPNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 — — US disclosed
US-6855833-B2 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-02-15 — — US disclosed
US-20040225137-A1 Methods for producing amino substituted chromanes and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 — — US disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 — — US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 — — US disclosed
WO-2001094330-A2 METHODS FOR PRODUCING AMINO SUBSTITUTED CHROMANES COR THERAPEUTICS, INC. (US) 2001-12-13 — — 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 (3 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-20040225137-A1 Methods for producing amino substituted chromanes and intermediates thereof PFKP, PDGFRA, TBXAS1 GRIN2B 4263/4885PNMT 952/4885ADRA2A 507/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D GRIN2B 2294/4885PNMT 2180/4885ADRA2A 4715/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D GRIN2B 2294/4885PNMT 2180/4885ADRA2A 4715/4885

“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.