SCHEMBL21743774

SCHEMBL21743774

O=C(CN1CCOCC1)Nc1cccc2c1CCNC2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL27372303 0.78 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL21744257 0.78 PIK3CD (0.43) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL21743778 0.75 PIK3CD (0.47) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL23619640 0.75 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29865634 0.75 KDM4E (0.51) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1011302 0.73 NPC1 (0.52) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL21744609 0.73 CYP2A13 (0.48) MEN1KMT2AALDH1A1KDM4E
SCHEMBL21743777 0.73 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL14863130 0.71 CD44 (0.46) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6174299 0.71 ALDH1A1 (0.69) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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 (2 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 MEN1 4543/4885KMT2A 4253/4885ALDH1A1 1760/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 MEN1 4543/4885KMT2A 4253/4885ALDH1A1 1760/4885

“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.