SCHEMBL1361875

SCHEMBL1361875

O=C(O)CC1(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
HSD11B1 P28845 5/20 0.58
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.46
EPHX2 P34913 1/20 0.46
DPP4 P27487 1/20 0.45
AKR1C1 Q04828 1/20 0.45
CNR1 P21554 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL625584 0.92 HSD11B1 (0.64) TSHRHSD11B1PKMKMT2ALMNA
SCHEMBL977926 0.92 HSD11B1 (0.69) TSHRHSD11B1KMT2ALMNAEPHX2
SCHEMBL5365797 0.90 HSD11B1 (0.72) TSHRHSD11B1KMT2ALMNAEPHX2
Hydrochloric Acid SCHEMBL11526870 0.88 HSD11B1 (0.70) TSHRHSD11B1KMT2ALMNAEPHX2
SCHEMBL8070728 0.87 MAOA (0.54) TSHRHSD11B1MAOAMAOBTAAR1
SCHEMBL31147495 0.87 KMT2A (0.53) TSHRHSD11B1MAOAMAOBTAAR1
SCHEMBL15577224 0.87 TSHR (0.63) TSHRHSD11B1LMNAL3MBTL1NPSR1
SCHEMBL27854090 0.87 TACR1 (0.51) TSHRHSD11B1PKMKMT2AOPRM1
SCHEMBL31147301 0.86 TSHR (0.58) TSHRHSD11B1MAOAMAOBTAAR1
Bromide SCHEMBL8366571 0.85 TACR1 (0.50) TSHRHSD11B1PKMKMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008334-B1 ALPHA-PHENYL-ALPHA-CYCLOPROPANE-ACETIC ACID ESTERS, THEIR PREPARATION AND USE AS PESTICIDES CIBA-GEIGY AG (CH) 1981-10-14 EP claimed
EP-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 EP disclosed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP disclosed
CN-102666495-A Potassium channel modulators ABBOTT LAB 2012-09-12 CN disclosed
US-8067409-B2 Protein kinase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 US disclosed
EP-2222682-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2010-09-01 EP disclosed
CN-101646652-A Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition WYETH CORP US 2010-02-10 CN disclosed
EP-2134692-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-23 EP disclosed
US-20090253723-A1 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
WO-2009070516-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-06-04 WO disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 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 (3 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-20090253723-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 TSHR 3648/4885HSD11B1 3447/4885MAOA 3092/4885
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE TSHR 3701/4885HSD11B1 3386/4885MAOA 1000/4885
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 TSHR 1471/4885HSD11B1 2950/4885MAOA 3138/4885

“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.