SCHEMBL2867356

SCHEMBL2867356

O=C(CCl)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.69
ME2 P23368 1/20 0.64
ME1 P48163 1/20 0.64
ME3 Q16798 1/20 0.64
GFER P55789 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
ATM Q13315 1/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
HTR1A P08908 2/20 0.61
HTR7 P34969 2/20 0.61
GPX4 P36969 1/20 0.60
HDAC1 Q13547 1/20 0.59
GRM5 P41594 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL9987526 0.87 KMT2A (0.68) AKR1C3ME2ME1ME3GFER
SCHEMBL10981623 0.86 ME2 (0.64) AKR1C3ME2ME1ME3GFER
SCHEMBL12916359 0.85 HTT (0.59) AKR1C3GFERSMN1; SMN2KMT2AMEN1
SCHEMBL2878977 0.85 POLB (0.69) AKR1C3ME2ME1ME3GFER
SCHEMBL7561191 0.85 AKR1C3 (0.68) AKR1C3ME2ME1ME3GFER
SCHEMBL12419699 0.85 AKR1C3 (0.68) AKR1C3ME2ME1ME3GFER
SCHEMBL3299369 0.84 MAPT (0.70) GFERSMN1; SMN2KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL6910714 0.83 AKR1C3 (0.66) AKR1C3ME2ME1ME3GFER
SCHEMBL264542 0.82 MEN1 (0.74) SMN1; SMN2KMT2AMEN1ALDH1A1HTR1A
SCHEMBL12916410 0.81 AKR1C3 (0.48) AKR1C3ME2ME1ME3GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
WO-2022129256-A1 SELECTIVE HDAC6 INHIBITOR ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2022-06-23 WO disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299270-A1 PROTEOSTASIS REGULATORS Kineta, Inc. 2020-09-24 US disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 US disclosed
EP-2707101-B1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS INC (US) 2019-02-13 EP disclosed
US-20170247355-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2017-08-31 US disclosed
US-20170247355-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2017-08-31 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 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 (11 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-20200299270-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 AKR1C3 1322/4885ME2 1595/4885ME1 1855/4885
US-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 AKR1C3 1908/4885ME2 4171/4885ME1 3290/4885
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 AKR1C3 64/4885ME2 515/4885ME1 283/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 AKR1C3 64/4885ME2 515/4885ME1 283/4885
US-20170247355-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 AKR1C3 1322/4885ME2 1595/4885ME1 1855/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 AKR1C3 1908/4885ME2 4171/4885ME1 3290/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 AKR1C3 1971/4885ME2 4209/4885ME1 3024/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 AKR1C3 1971/4885ME2 4209/4885ME1 3024/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 AKR1C3 64/4885ME2 515/4885ME1 283/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 AKR1C3 1908/4885ME2 4171/4885ME1 3290/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 AKR1C3 64/4885ME2 515/4885ME1 283/4885

“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.