SCHEMBL13497256

SCHEMBL13497256

O=C(O)[C@H]1CC=C[C@H](N2CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HDAC1 Q13547 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
SCHEMBL15088888 1.00 S1PR1 (0.47) S1PR1S1PR5SIGMAR1ALDH1A1KDM4E
SCHEMBL13497259 1.00 S1PR1 (0.47) S1PR1S1PR5SIGMAR1ALDH1A1KDM4E
SCHEMBL13497258 1.00 S1PR1 (0.47) S1PR1S1PR5SIGMAR1ALDH1A1KDM4E
SCHEMBL15088881 1.00 S1PR1 (0.47) S1PR1S1PR5SIGMAR1ALDH1A1KDM4E
SCHEMBL15088847 1.00 S1PR1 (0.47) S1PR1S1PR5SIGMAR1ALDH1A1KDM4E
SCHEMBL16501521 0.90 SIGMAR1 (0.44) SIGMAR1ALDH1A1KDM4ETDP1HSD11B1
SCHEMBL16501536 0.90 SIGMAR1 (0.44) SIGMAR1ALDH1A1KDM4ETDP1HSD11B1
SCHEMBL13497349 0.75 ABAT (0.46) ALDH1A1KDM4ETDP1LMNAHTT
SCHEMBL13497336 0.75 ABAT (0.46) ALDH1A1KDM4ETDP1LMNAHTT
SCHEMBL13497265 0.75 ABAT (0.46) ALDH1A1KDM4ETDP1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318383-B1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 — — EP disclosed
US-20110301350-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 — — US disclosed
US-20110301350-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 — — US disclosed
WO-2010017850-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — 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 (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-20110301350-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS CCNB1, CCNB2, CYP1B1 S1PR1 91/4885S1PR5 153/4885SIGMAR1 250/4885

“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.

Send feedback