SCHEMBL878583

SCHEMBL878583

CC(C)c1nc(CC(=O)O)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HCAR3 P49019 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
THRB P10828 8/20 0.33
THRA P10827 7/20 0.33
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
NPY2R P49146 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL873583 0.75 POLB (0.50) CYP1A2LMNAHPGDMAPTHCAR2
SCHEMBL2211570 0.71 CYP1A2 (0.42) CYP1A2LMNAPOLB
SCHEMBL28015485 0.68 ALPL (0.49) CYP1A2LMNAHPGDMAPTPOLB
SCHEMBL12473222 0.67 LMNA (0.41) CYP1A2LMNAHPGDMAPTGRM2
SCHEMBL3002699 0.66 ALDH1A1 (0.38) ADORA2AADORA1LMNAHPGDMAPT
SCHEMBL7122558 0.65 CYP1A2 (0.67) CYP1A2LMNAMAPT
SCHEMBL16145055 0.64 GRK6 (0.54) ADORA2AADORA1CYP1A2LMNAHPGD
SCHEMBL5510590 0.63 CYP1A2 (0.38) CYP1A2LMNAMAPT
SCHEMBL14556062 0.62 KDM4E (0.40) CYP1A2LMNAMAPTHCAR2THRB
SCHEMBL14556064 0.62 KDM4E (0.37) CYP1A2LMNAHCAR3MAPTHCAR2

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
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

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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ADORA2A 301/4885ADORA1 108/4885CYP1A2 1223/4885

“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.