SCHEMBL2049321

SCHEMBL2049321

O=C(O)N1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HPGD P15428 2/20 0.62
TSHR P16473 1/20 0.62
CHRNB2 P17787 4/20 0.58
CHRNA3 P32297 4/20 0.58
CHRNA4 P43681 4/20 0.58
CHRNB3 Q05901 3/20 0.58
CHRNA6 Q15825 3/20 0.58
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.48
HSD11B1 P28845 2/20 0.47
LMNA P02545 2/20 0.47
CHRNB4 P30926 1/20 0.43
CHRNA7 P36544 1/20 0.43
CNR1 P21554 1/20 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
SCHEMBL26124277 0.93 HPGD (0.68) ALDH1A1HPGDTSHRCHRNB2CHRNA3
SCHEMBL3828585 0.91 ALDH1A1 (0.78) ALDH1A1HPGDTSHRCHRNB2CHRNA3
SCHEMBL19569940 0.89 ALDH1A1 (0.75) ALDH1A1HPGDTSHRCHRNB2CHRNA3
SCHEMBL2956853 0.89
SCHEMBL29746376 0.88 CHRNB2 (0.81) ALDH1A1HPGDTSHRCHRNB2CHRNA3
SCHEMBL2677613 0.87 ALDH1A1 (0.72) ALDH1A1HPGDTSHRCHRNB2CHRNA3
SCHEMBL2677292 0.86 HPGD (0.59) ALDH1A1HPGDTSHRCHRNB2CHRNA3
SCHEMBL2676701 0.85 ALDH1A1 (0.76) ALDH1A1HPGDTSHRHTTHSD11B1
SCHEMBL21409274 0.85 CHRNB2 (0.64) ALDH1A1HPGDTSHRCHRNB2CHRNA3
SCHEMBL3595898 0.85 TSHR (0.52) ALDH1A1HPGDTSHRCHRNB2CHRNA3

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073133-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
US-20240083908-A1 TETRAHYDROTHIENOPYRIMIDINESULFONAMIDE COMPOUNDS ALIVEXIS, INC. (JP) 2024-03-14 US disclosed
EP-4269415-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND Modulus Discovery, Inc. (JP) 2023-11-01 EP disclosed
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2022-06-21 US disclosed
US-20210069191-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2021-03-11 US disclosed
US-10780088-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2020-09-22 US disclosed
US-20200261454-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2020-08-20 US disclosed
US-10543209-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2020-01-28 US disclosed
US-20180117045-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MEDIVATION TECHNOLOGIES LLC 2018-05-03 US disclosed
US-9820985-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2017-11-21 US disclosed
EP-1752449-A1 Pharmaceutical coposition GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
US-7119092-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-10 US disclosed
US-20060142302-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-29 US disclosed
US-7060702-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-06-13 US disclosed
US-20050137208-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2005-06-23 US disclosed
EP-1524266-A1 Pharmaceutical composition GLAXO GROUP LIMITED (GB) 2005-04-20 EP disclosed
EP-1326832-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2004-10-06 EP disclosed
US-20040014770-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-01-22 US disclosed
EP-1326832-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-07-16 EP disclosed
WO-2002032867-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-04-25 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 (10 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-20180117045-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 ALDH1A1 326/4885HPGD 242/4885TSHR 3935/4885
US-20240083908-A1 TETRAHYDROTHIENOPYRIMIDINESULFONAMIDE COMPOUNDS TYMS, TYMP, TPMT ALDH1A1 2342/4885HPGD 512/4885TSHR 2507/4885
US-10780088-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 ALDH1A1 326/4885HPGD 242/4885TSHR 3935/4885
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 ALDH1A1 326/4885HPGD 242/4885TSHR 3935/4885
US-20050137208-A1 Chemical compounds TACR2, TAC3, MC2R ALDH1A1 3334/4885HPGD 2610/4885TSHR 449/4885
US-10543209-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 ALDH1A1 326/4885HPGD 242/4885TSHR 3935/4885
US-20040014770-A1 Chemical compounds HCK, KCNK4, GRK4 ALDH1A1 2296/4885HPGD 3783/4885TSHR 1186/4885
US-20060142302-A1 Chemical compounds TACR2, TAC3, MC2R ALDH1A1 3334/4885HPGD 2610/4885TSHR 449/4885
US-20200261454-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 ALDH1A1 326/4885HPGD 242/4885TSHR 3935/4885
US-20210069191-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 ALDH1A1 326/4885HPGD 242/4885TSHR 3935/4885

“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.