SCHEMBL4325562

SCHEMBL4325562

Cc1ccc(COC(=O)N2CCNC(C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
HTR2C P28335 1/20 0.44
P2RX4 Q99571 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NAAA Q02083 1/20 0.41
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41

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
SCHEMBL2579734 0.88 HTR2C (0.58) GRIN2BMEN1KMT2AHTR2CNPC1
SCHEMBL13490134 0.88 HTR2C (0.58) GRIN2BMEN1KMT2AHTR2CNPC1
SCHEMBL2787453 0.88 HTR2C (0.58) GRIN2BMEN1KMT2AHTR2CNPC1
Hydrochloric Acid SCHEMBL31066472 0.87 HTR2C (0.56) GRIN2BMEN1KMT2AHTR2CNPC1
SCHEMBL542683 0.85 MEN1 (0.58) GRIN2BMEN1KMT2AP2RX4NPC1
SCHEMBL7802330 0.81 HTR2C (0.55) MEN1KMT2AHTR2CNPC1RAB9A
SCHEMBL952240 0.80 BIRC2 (0.45) SMN1; SMN2ALDH1A1BIRC2
SCHEMBL956554 0.80 BIRC2 (0.45) SMN1; SMN2ALDH1A1BIRC2
SCHEMBL317572 0.80 BIRC2 (0.45) SMN1; SMN2ALDH1A1BIRC2
SCHEMBL28950959 0.80 XIAP (0.40) GRIN2BHTR2CNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569690-B2 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-08-04 US disclosed
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2006-07-20 US disclosed
EP-1548010-A1 PROCESS FOR PRODUCING OXYCARBONYL-SUBSTITUTED PIPERAZINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2005-06-29 EP 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-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative DHPS, AQP4, OGFOD1 GRIN2B 3789/4885MEN1 4853/4885KMT2A 2839/4885

“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.