SCHEMBL1150130

SCHEMBL1150130

N#C[C@]1(Cc2ccccc2)C[C@H](F)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.38
FAP Q12884 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
CTSC P53634 1/20 0.38
LMNA P02545 1/20 0.36
GRIN2B Q13224 8/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL1151046 0.81 LMNA (0.37) DPP4CTSCLMNAGRIN2BALDH1A1
SCHEMBL1150922 0.75 LMNA (0.37) LMNAGRIN2B
SCHEMBL1150580 0.75 DPP4 (0.36) DPP4GRIN2BALDH1A1HTTNPSR1
SCHEMBL1150852 0.71 SPHK1 (0.35) LMNAGRIN2B
SCHEMBL2494897 0.70 LMNA (0.39) LMNAGRIN2B
SCHEMBL17542082 0.64 GRIN2B (0.40) LMNAGRIN2BALDH1A1
SCHEMBL17542485 0.64 GRIN2B (0.40) LMNAGRIN2BALDH1A1
SCHEMBL2818160 0.64 HSD11B1 (0.40) GRIN2BALDH1A1
SCHEMBL3546569 0.64 HSD11B1 (0.40) GRIN2BALDH1A1
SCHEMBL3550557 0.63 GRIN2B (0.38) LMNAGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-02-10 US disclosed
US-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 US disclosed
US-7435734-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-10-14 US disclosed
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2007-05-31 US disclosed
US-7217713-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-05-15 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2006-11-16 US disclosed
EP-1441735-B1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2006-02-22 EP disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US disclosed
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 EP disclosed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 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 (5 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-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI DPP4 753/4885FAP 2791/4885DPP8 1231/4885
US-20110034449-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE IMPDH1, REV1, CCNI DPP4 753/4885FAP 2791/4885DPP8 1231/4885
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, ASS1, REV1 DPP4 1058/4885FAP 2270/4885DPP8 1435/4885
US-20070123524-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI DPP4 753/4885FAP 2791/4885DPP8 1231/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 DPP4 808/4885FAP 2723/4885DPP8 1255/4885

“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.