SCHEMBL5070937

SCHEMBL5070937

NCCC(=O)n1ccc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.46
OXER1 Q8TDS5 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
TFPI2 P48307 1/20 0.41
NPY4R P50391 1/20 0.41
GAA P10253 1/20 0.41
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 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
SCHEMBL25937249 0.89 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1LMNA
Hydrochloric Acid SCHEMBL25430303 0.87 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL30452423 0.84 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL10836168 0.84 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL3004386 0.84 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL28244322 0.81 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL6229758 0.81 TSHR (0.50) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL1563100 0.80 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1OXER1
SCHEMBL28725476 0.80 NOTUM (0.51) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL25446207 0.80 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1LMNA

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-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 NOTUM 606/4885TSHR 641/4885RAB9A 3667/4885

“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.