SCHEMBL5078226

SCHEMBL5078226

CC1CCC(C(C)(C)c2ccccc2)C(O)C1.O=C(O)Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 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
SCHEMBL1097170 1.00 CYP2C19 (0.41) CYP2C19CYP2C9MAPTKMT2AHIF1A
SCHEMBL927772 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL8409146 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL927770 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL12159717 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL14026070 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL8870586 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL15061116 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
SCHEMBL22375179 0.94 CYP2C9 (0.39) CYP2C19CYP2C9
Water SCHEMBL28276387 0.92 CYP2C9 (0.38) CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124828-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2008-01-02 EP disclosed
EP-1278747-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2006-08-23 EP disclosed
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 US disclosed
US-6632418-B2 Therapy for asthma, sexual disorders, hypotensive agents, analgesics ABBOTT LABORATORIES 2003-10-14 US disclosed
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators ABBOTT LABORATORIES 2003-04-03 US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 US disclosed
WO-2003011869-A1 RADIOLIGANDS AND THEIR USE FOR IDENTIFYING POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2003-02-13 WO disclosed
EP-1278746-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
EP-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP disclosed
EP-1124828-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
US-6191140-B1 POTASSIUM CHANNEL MODULATORS; MUSCLE RELAXANTS; CONTROLLING CELL MEMBRANES ABBOTT LABORATORIES 2001-02-20 US disclosed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
WO-2000024743-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2000-05-04 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 (2 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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 CYP2C19 1299/4885CYP2C9 1792/4885MAPT 4663/4885
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators KCNN3, KCNN1, KCNN2 CYP2C19 2795/4885CYP2C9 2915/4885MAPT 3488/4885

“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.