SCHEMBL5064043

SCHEMBL5064043

O=C(CCl)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
HTT P42858 3/20 0.71
SMN1; SMN2 Q16637 6/20 0.66
LMNA P02545 4/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
HPGD P15428 1/20 0.64
KDM4E B2RXH2 2/20 0.62
SIGMAR1 Q99720 1/20 0.62
RAB9A P51151 1/20 0.61
POLB P06746 1/20 0.61
HTR7 P34969 1/20 0.61
FAAH O00519 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL9988381 0.87 HTR7 (0.66) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL6681439 0.86 ALDH1A1 (0.83) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL4140482 0.85 MEN1 (0.66) ALDH1A1HTTKMT2AMEN1SIGMAR1
SCHEMBL2841801 0.85 ALDH1A1 (0.68) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL5247018 0.85 FAAH (0.63) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7369921 0.85 ALDH1A1 (0.73) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL544161 0.85 SIGMAR1 (0.68) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL10981139 0.84 HTR7 (0.63) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL2850013 0.84 ALDH1A1 (0.70) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL27791391 0.84 ALDH1A1 (0.70) ALDH1A1HTTSMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090871-A1 ELECTROPHILIC PURINE COMPOUNDS FOR MODIFICATION OF PROTEINS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-05-01 WO disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US 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-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
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed
US-5280024-A Antioxidant and vasodilator ADIR ET COMPAGNIE (FR) 1994-01-18 US disclosed
EP-0564350-A1 3',5'-ditertbutyl-4'-hydroxyflavones, method for their preparation and pharmaceutical compositions with an antioxidant and antivasoconstricting activity ADIR ET COMPAGNIE (FR) 1993-10-06 EP disclosed
EP-0060610-B1 HEXAHYDRO-TRANS- AND TETRAHYDROPYRIDOINDOLE NEUROLEPTIC AGENTS PFIZER INC. (US) 1985-09-04 EP disclosed
US-4432978-A NEUROLEPTIC AGENTS, TRANQUILIZERS PFIZER INC. (US) 1984-02-21 US disclosed
US-4431649-A TRANQUILIZERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4431646-A TRANQUILIZERS; PSYCHOSIS; NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4427679-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS PFIZER INC. (US) 1984-01-24 US disclosed
EP-0060610-A1 Hexahydro-trans- and tetrahydropyridoindole neuroleptic agents PFIZER INC. (US) 1982-09-22 EP disclosed
US-4337250-A NEUROLEPTIC AGENTS PFIZER INC. (US) 1982-06-29 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 (6 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-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 ALDH1A1 133/4885HTT 4876/4885SMN1; SMN2 4744/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 ALDH1A1 133/4885HTT 4876/4885SMN1; SMN2 4744/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES ALDH1A1 465/4885HTT 1362/4885SMN1; SMN2 4729/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 ALDH1A1 133/4885HTT 4876/4885SMN1; SMN2 4744/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 ALDH1A1 306/4885HTT 2898/4885SMN1; SMN2 4648/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 ALDH1A1 133/4885HTT 4876/4885SMN1; SMN2 4744/4885

“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.