SCHEMBL877929

SCHEMBL877929

COC(=O)Cc1nc(N)n(C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.35
KDM4E B2RXH2 5/20 0.33
F2 P00734 4/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE8B O95263 1/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
ALOX15 P16050 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
SCHEMBL683197 0.81 FAAH (0.37) HSD17B10HTTUSP2GLAKDM4E
SCHEMBL13799643 0.68 KDM4E (0.41) HSD17B10HTTUSP2KDM4EGAA
SCHEMBL17055211 0.67 HSD17B10 (0.43) HSD17B10HTTKDM4EGAAALDH1A1
SCHEMBL13807585 0.67 LMNA (0.42) HSD17B10HTTUSP2KDM4EGAA
SCHEMBL20985907 0.65 ALDH1A1 (0.38) HSD17B10HTTUSP2KDM4EGAA
SCHEMBL8358005 0.65 HTT (0.49) HSD17B10HTTUSP2KDM4EGAA
SCHEMBL4477003 0.62 ALDH1A1 (0.41) HSD17B10HTTUSP2KDM4EGAA
SCHEMBL6335602 0.62 KDM4E (0.42) HSD17B10KDM4EGAAALDH1A1CYP1A2
SCHEMBL10828626 0.61 ALDH1A1 (0.42) HSD17B10HTTUSP2GLAKDM4E
SCHEMBL26328857 0.60 HSD17B10 (0.43) HSD17B10HTTUSP2KDM4EGAA

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 HSD17B10 2919/4885HTT 3854/4885USP2 3932/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HSD17B10 2919/4885HTT 3854/4885USP2 3932/4885

“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.