SCHEMBL873424

SCHEMBL873424

CCOC(=O)C1([C]=O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 6/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
ATM Q13315 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL2879833 0.82 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL3523 0.78 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL2505 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL874373 0.77 NPSR1 (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL713102 0.74 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL102472 0.73 POLB (0.41) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL14710289 0.73 POLB (0.41) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL7836602 0.73 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL4862696 0.72 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL5411525 0.72 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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 (2 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D SMN1; SMN2 923/4885MEN1 4385/4885KMT2A 2021/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D SMN1; SMN2 923/4885MEN1 4385/4885KMT2A 2021/4885

“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.