SCHEMBL24322648

SCHEMBL24322648

C[C@H](C(=O)NCC1CCCCC1)N1CCNCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.76
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.51
EPHX1 P07099 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL973523 0.86 SIGMAR1 (1.00) SIGMAR1KMT2AMEN1ALDH1A1GAA
SCHEMBL11071000 0.78 KDM4E (0.65) SIGMAR1ALDH1A1GAAEPHX1KDM4E
SCHEMBL6678936 0.77 SIGMAR1 (0.58) SIGMAR1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL11060305 0.75 SIGMAR1 (0.57) SIGMAR1KMT2AMEN1EPHX1KDM4E
SCHEMBL13581 0.74 EPHX1 (0.55) KMT2AMEN1ALDH1A1GAAEPHX1
SCHEMBL19652274 0.74 EPHX1 (0.55) KMT2AMEN1ALDH1A1GAAEPHX1
SCHEMBL11066538 0.74 SIGMAR1 (0.63) SIGMAR1KMT2AMEN1KDM4ETSHR
SCHEMBL7748187 0.74 SIGMAR1 (0.56) SIGMAR1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL11063231 0.73 SIGMAR1 (0.54) SIGMAR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL977989 0.73 KDM4E (0.58) SIGMAR1ALDH1A1GAAEPHX1KDM4E

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN SIGMAR1 3622/4885KMT2A 3149/4885MEN1 786/4885

“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.