SCHEMBL3396592

SCHEMBL3396592

COC(=O)C1=CCCC2(CCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ BLM P54132 1/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ PTPN1 P18031 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31

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
SCHEMBL3397960 0.98 CHRM3 (0.44) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL19277700 0.80 HDAC4 (0.33) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL19277945 0.77 — —
SCHEMBL19766891 0.75 CHRM3 (0.44) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL10472407 0.73 CHRM3 (0.42) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL44118 0.70 — —
SCHEMBL7776196 0.69 — —
SCHEMBL7776198 0.69 — —
SCHEMBL30185335 0.69 CHRM3 (0.41) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL809748 0.68 HDAC2 (0.57) CHRM3LMNACHRM2CHRM4CHRM5

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 8 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
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-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

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 CHRM3 4162/4885LMNA 1204/4885CHRM2 4478/4885
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 CHRM3 4162/4885LMNA 1204/4885CHRM2 4478/4885
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 CHRM3 4162/4885LMNA 1204/4885CHRM2 4478/4885

“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.

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