SCHEMBL6494174

SCHEMBL6494174

CNCCCNC(=O)OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TGM2 P21980 1/20 0.62
KEAP1 Q14145 3/20 0.60
NFE2L2 Q16236 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 1/20 0.56
FOLH1 Q04609 3/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A1 P43005 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP7 Q9UHL4 1/20 0.50

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
SCHEMBL19527223 0.95 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL7907549 0.95 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL14463120 0.95 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL21997253 0.91 LMNA (0.71) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL2384157 0.90 LMNA (0.69) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18900912 0.89 HTT (0.61) HTTLMNASMN1; SMN2TGM2KEAP1
Hydrochloric Acid SCHEMBL188564 0.89 LMNA (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16804702 0.89 HTT (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.89 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL14010457 0.88 HTT (0.70) HTTLMNASMN1; SMN2TGM2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4183773-A1 ZWITTERIONIC REAGENTS Siemens Healthcare Diagnostics Inc. (US) 2023-05-24 EP disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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 (5 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 HTT 3994/4885LMNA 1077/4885SMN1; SMN2 2553/4885
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 HTT 341/4885LMNA 4541/4885SMN1; SMN2 1591/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA HTT 4317/4885LMNA 4381/4885SMN1; SMN2 4237/4885
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTT 255/4885LMNA 4701/4885SMN1; SMN2 991/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTT 255/4885LMNA 4701/4885SMN1; SMN2 991/4885

“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.