SCHEMBL631246

SCHEMBL631246

CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CCC1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
GAA P10253 2/20 0.43
GPR119 Q8TDV5 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL19078503 1.00 MEN1 (0.47) MEN1ALDH1A1KMT2ATSHRHPGD
SCHEMBL17032291 0.90 ALDH1A1 (0.46) MEN1ALDH1A1KMT2ATSHRHPGD
SCHEMBL7026410 0.90 ALDH1A1 (0.46) MEN1ALDH1A1KMT2ATSHRHPGD
SCHEMBL6218492 0.90 ALDH1A1 (0.46) MEN1ALDH1A1KMT2ATSHRHPGD
SCHEMBL15720999 0.90 ALDH1A1 (0.46) MEN1ALDH1A1KMT2ATSHRHPGD
SCHEMBL23692789 0.90 ALDH1A1 (0.46) MEN1ALDH1A1KMT2ATSHRHPGD
SCHEMBL18039756 0.88 GAA (0.54) ALDH1A1KMT2ATSHRRECQLGAA
SCHEMBL17756103 0.84 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ATSHRHPGD
SCHEMBL12723118 0.83 ALDH1A1 (0.47) MEN1ALDH1A1KMT2ATSHRHPGD
SCHEMBL6907597 0.83 ALDH1A1 (0.47) MEN1ALDH1A1KMT2ATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584765-B2 Polycyclic amines as sigma receptor modulators Ecstasy LLC (US) 2023-02-21 US disclosed
CN-110662541-B Polycyclic amines as opioid receptor modulators 王晓冬 2023-02-10 CN disclosed
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2022-12-29 US disclosed
US-10676456-B2 Polycyclic amines as opioid receptor modulators Ecstasy LLC 2020-06-09 US disclosed
CN-110662541-A Polycyclic amines as opioid receptor modulators 王晓冬 2020-01-07 CN disclosed
EP-3130592-B1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2019-08-14 EP disclosed
EP-3130592-B1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2019-08-14 EP disclosed
WO-2018169818-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS WANG XIAODONG (US) 2018-09-20 WO disclosed
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2018-09-13 US disclosed
US-9856262-B2 Analogues of 4H-pyrazolo[1,5-a] benzimidazole compound as PARP inhibitors HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2018-01-02 US disclosed
WO-2013025425-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-21 WO disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
CN-101155797-A 1H-benzimidazole-4-carboxamide compounds substituted at the 2-position with a quaternary carbon atom are potent PARP inhibitors ABBOTT LAB (US) 2008-04-02 CN disclosed
EP-1869011-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-26 EP disclosed
WO-2006110816-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 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 (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-10676456-B2 Polycyclic amines as opioid receptor modulators OPRM1, OPRL1, OPRK1 MEN1 4685/4885ALDH1A1 825/4885KMT2A 1414/4885
US-11584765-B2 Polycyclic amines as sigma receptor modulators OPRM1, SIGMAR1, OPRK1 MEN1 4637/4885ALDH1A1 1039/4885KMT2A 1818/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 MEN1 3097/4885ALDH1A1 332/4885KMT2A 595/4885
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 MEN1 4685/4885ALDH1A1 825/4885KMT2A 1414/4885
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 MEN1 4685/4885ALDH1A1 825/4885KMT2A 1414/4885

“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.