SCHEMBL2078210

SCHEMBL2078210

O=C(OCc1ccccc1)C1CCC[N]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
FKBP1A P62942 2/20 0.44
EPHX1 P07099 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5160492 1.00 TSHR (0.49) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL2768877 0.95 TSHR (0.48) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL9431959 0.82 FKBP1A (0.51) ALDH1A1FKBP1ASMN1; SMN2
SCHEMBL5761025 0.78 HTR2C (0.46) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL2645803 0.76 FAAH (0.49) ALDH1A1L3MBTL1KMT2A
SCHEMBL3664444 0.76 TSHR (0.58) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL16347238 0.76 TSHR (0.55) TSHRALDH1A1FABP7FABP5FKBP1A
SCHEMBL17766262 0.76 TSHR (0.55) TSHRALDH1A1FABP7FABP5FKBP1A
SCHEMBL2703515 0.76 FABP7 (0.55) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL6666657 0.75 FABP7 (0.58) TSHRALDH1A1GAAFABP7FABP5

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-1668007-A1 DIOXOLANE DERIVATIVES AS CELL ADHESION INHIBITORS Ranbaxy Laboratories Limited (IN) 2006-06-14 EP claimed
WO-2005026163-A1 DIOXOLANE DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-03-24 WO claimed
WO-1994014765-A1 CYCLOHEXYLSULFONYL-ACRYLIC ACID AND ITS DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 WO claimed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
EP-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
WO-1994014765-A1 CYCLOHEXYLSULFONYL-ACRYLIC ACID AND ITS DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 WO disclosed
WO-1994014765-A1 CYCLOHEXYLSULFONYL-ACRYLIC ACID AND ITS DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 WO disclosed
US-4076814-A DITHIOCARBAMIC ACID DERIVATIVES SANKYO COMPANY LIMITED (JA) 1978-02-28 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 (1 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 TSHR 867/4885ALDH1A1 975/4885GAA 3904/4885

“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.