SCHEMBL873891

SCHEMBL873891

CCOC(=O)Cc1nc(CC)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
RAB9A P51151 1/20 0.55
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HSD17B10 Q99714 3/20 0.46
CHEK1 O14757 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
AKT1 P31749 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL22950631 0.80 LMNA (0.57) LMNARAB9ACA12CA1CA2
SCHEMBL17050149 0.78 LMNA (0.55) LMNARAB9ACA12CA1CA2
SCHEMBL874634 0.78 LMNA (0.55) LMNARAB9ACA12CA1CA2
SCHEMBL688262 0.73 CA12 (0.53) LMNARAB9ACA12CA1CA2
SCHEMBL11532768 0.72 CA12 (0.51) LMNARAB9ACA12CA1CA2
SCHEMBL4789370 0.72 LMNA (0.78) LMNARAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL7771015 0.71
SCHEMBL682488 0.71 MAPT (0.41) LMNARAB9ACA12CA1CA2
SCHEMBL16153996 0.71 RAB9A (1.00) LMNARAB9AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL443306 0.69 CA12 (0.56) LMNARAB9ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 2956/4885RAB9A 1524/4885CA12 3716/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D LMNA 2956/4885RAB9A 1524/4885CA12 3716/4885

“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.