SCHEMBL22333361

SCHEMBL22333361

Cc1cccnc1C(=O)CCCC(=O)c1nc2cccc(N3CCN(C)CC3)c2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
NPC1 O15118 1/20 0.36
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22333188 0.83 NPC1 (0.36) ELANEHTR3EHTR3BHTR3AHTR3D
SCHEMBL22333183 0.74 HRH4 (0.42) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL22333200 0.73 ALDH1A1 (0.43) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL2479225 0.71 CTNNB1 (0.49) SMN1; SMN2
SCHEMBL4889066 0.67 HTR7 (0.44) HTR1AHTR2AHTR2CMEN1KMT2A
SCHEMBL22333227 0.65 CXCR4 (0.46) ELANEHTR3EHTR3BHTR3AHTR3D
SCHEMBL935378 0.65 KDM4E (0.48) CHIA
SCHEMBL22333172 0.64 CXCR4 (0.41) ELANEHTR3EHTR3BHTR3AHTR3D
SCHEMBL24141820 0.64 CTNNB1 (0.46) NPC1
SCHEMBL15988698 0.64 CTNNB1 (0.54) NPC1

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-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-11-25 US disclosed
US-10988465-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
US-20200255414-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2020-08-13 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 (3 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-20200255414-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 ELANE 332/4885HTR3E 460/4885HTR3B 691/4885
US-20210363139-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 ELANE 332/4885HTR3E 460/4885HTR3B 691/4885
US-10988465-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 ELANE 332/4885HTR3E 460/4885HTR3B 691/4885

“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.