SCHEMBL5452980

SCHEMBL5452980

O=C(O)CCN1CCNCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APEX1 P27695 1/20 0.38
TSHR P16473 3/20 0.37
ALOX15 P16050 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
ITGA2 P17301 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.33
S1PR1 P21453 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
SCHEMBL5337457 0.82 JAK2 (0.34) POLBSMN1; SMN2USP19
SCHEMBL3833137 0.81 TSHR (0.44) KDM4EMEN1KMT2APOLBTDP1
SCHEMBL8381615 0.80 SMN1; SMN2 (0.38) KDM4EMAPTTSHRALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL2976440 0.80 TSHR (0.43) KDM4EMEN1KMT2APOLBTDP1
SCHEMBL978058 0.79 KMT2A (0.35) MEN1KMT2AUSP19
SCHEMBL169175 0.78 KMT2A (0.42) KDM4EMEN1KMT2AL3MBTL1TSHR
Hydrochloric Acid SCHEMBL3999990 0.78 KMT2A (0.34) MEN1KMT2AUSP19
SCHEMBL5032385 0.78 TSHR (0.44) KMT2APOLBL3MBTL1TSHRALOX15
Hydrochloric Acid SCHEMBL4123134 0.77 TSHR (0.43) KMT2APOLBMAPTL3MBTL1TSHR
SCHEMBL4028081 0.76 KMT2A (0.33) MEN1KMT2AL3MBTL1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD KDM4E 569/4885MEN1 3810/4885KMT2A 1601/4885

“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.