SCHEMBL17028378

SCHEMBL17028378

O=C(O)NCCNC(=O)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CHRM1 P11229 1/20 0.50
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
HIF1A Q16665 1/20 0.44
NR1I2 O75469 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL6467994 0.83 HTT (0.60) HTTSMN1; SMN2KMT2AMEN1CHRM1
SCHEMBL10750878 0.82 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1CHRM1
SCHEMBL1446597 0.82 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1CHRM1
SCHEMBL1446599 0.82 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1CHRM1
SCHEMBL1446581 0.81 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1CHRM1
SCHEMBL9790298 0.81 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1CHRM1
SCHEMBL2760109 0.81 HTT (0.77) HTTSMN1; SMN2KMT2AMEN1CHRM1
SCHEMBL7442633 0.81 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1CHRM1
Oxalic Acid SCHEMBL28342918 0.80 HTT (0.57) HTTSMN1; SMN2KMT2AMEN1CHRM1
Hydrochloric Acid SCHEMBL10599246 0.79 HTT (0.60) HTTSMN1; SMN2KMT2AMEN1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849134-B2 Method of improving cognition and social behavior in humans having deficits therein due to neurodegenerative disorders and compounds and compositions therefor THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-12-26 US disclosed
EP-3122350-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR The Board of Trustees of The Leland Stanford Junior University (US) 2017-02-01 EP disclosed
US-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-06-30 US disclosed
WO-2015126915-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-27 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-20160184315-A1 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEURODEGENERATIVE DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR ADRA1B, ADRB1, ADRA1A HTT 816/4885SMN1; SMN2 342/4885KMT2A 4250/4885

“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.