SCHEMBL3402000

SCHEMBL3402000

COc1cc(C2CCN[C@@H]2C(=O)O)ccc1OCC1=CC2(CCCC2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
EGFR P00533 3/20 0.35
CSF1R P07333 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PRMT5 O14744 2/20 0.35
KCNH2 Q12809 1/20 0.35
SCN3A Q9NY46 1/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE1C Q14123 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3400877 0.91 MAPK1 (0.32) APP
SCHEMBL3401998 0.89 ITGB3 (0.34)
SCHEMBL3399812 0.74 FFAR4 (0.49) APPALDH1A1MEN1KMT2A
SCHEMBL13018724 0.65 CSF1R (0.71) CSF1R
SCHEMBL5206643 0.63 SLC1A2 (0.44) MEN1KMT2A
SCHEMBL22926349 0.63 SLC1A2 (0.44) MEN1KMT2A
SCHEMBL5206646 0.63 SLC1A2 (0.44) MEN1KMT2A
Bromide SCHEMBL23492942 0.61 SLC1A2 (0.43) MEN1KMT2A
Bromide SCHEMBL23492943 0.61 SLC1A2 (0.43) MEN1KMT2A
SCHEMBL11340414 0.61 HTR2C (0.48) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684861-A2 Spiro compounds and pharmaceutical use thereof Japan Tobacco Inc. (JP) 2014-01-15 EP 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 (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-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 APP 2380/4885ALDH1A1 268/4885ALOX15 2594/4885

“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.