SCHEMBL3397445

SCHEMBL3397445

O=C(O)CCc1ccc(OCC2CCC3(CCCCC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
FFAR1 O14842 14/20 0.45
FFAR4 Q5NUL3 5/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
F2 P00734 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL3395430 1.00 ITGB3 (0.46) ITGB3ITGA2BFFAR1FFAR4LMNA
SCHEMBL3399524 0.95 ITGB3 (0.46) ITGB3ITGA2BFFAR1FFAR4LMNA
SCHEMBL3400701 0.95 ITGB3 (0.46) ITGB3ITGA2BFFAR1FFAR4LMNA
SCHEMBL3403221 0.93 FFAR1 (0.49) ITGB3ITGA2BFFAR1FFAR4LMNA
SCHEMBL3396990 0.87 ADRB2 (0.45) FFAR1
SCHEMBL3402019 0.86 FFAR1 (0.45) ITGB3ITGA2BFFAR1FFAR4LMNA
SCHEMBL3403089 0.84 ITGB3 (0.53) ITGB3ITGA2BFFAR1FFAR4LMNA
SCHEMBL15426921 0.83 PARP15 (0.38) ITGB3ITGA2BFFAR1THRATHRB
SCHEMBL3402949 0.83 FFAR1 (0.44) ITGB3ITGA2BFFAR1FFAR4LMNA
SCHEMBL13338066 0.83 ADAM17 (0.46) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
EP-2684861-A2 Spiro compounds and pharmaceutical use thereof Japan Tobacco Inc. (JP) 2014-01-15 EP disclosed
EP-2684861-A2 Spiro compounds and pharmaceutical use thereof Japan Tobacco Inc. (JP) 2014-01-15 EP disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
EP-2508503-A1 Spiro compounds and pharmaceutical use thereof Japan Tobacco, Inc. (JP) 2012-10-10 EP disclosed
EP-2202216-B1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2012-06-27 EP disclosed
EP-2202216-A1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2010-06-30 EP disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 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 (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-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 ITGB3 2221/4885ITGA2B 1788/4885FFAR1 2207/4885
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 ITGB3 2221/4885ITGA2B 1788/4885FFAR1 2207/4885
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 ITGB3 2221/4885ITGA2B 1788/4885FFAR1 2207/4885

“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.