SCHEMBL21744746

SCHEMBL21744746

CCC1CN(Cc2ccccn2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 4/20 0.43
LTA4H P09960 1/20 0.43
CYP2D6 P10635 1/20 0.42
HRH1 P35367 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE2A O00408 1/20 0.40

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
SCHEMBL4283381 0.79 LTA4H (0.55) LMNAL3MBTL1SIGMAR1ALDH1A1KDM4E
SCHEMBL334798 0.79 LTA4H (0.60) LMNACYP2C19CYP1A2KMT2ASIGMAR1
SCHEMBL4681405 0.79 LTA4H (0.60) LMNACYP2C19CYP1A2KMT2ASIGMAR1
SCHEMBL1005557 0.79 LTA4H (0.60) LMNACYP2C19CYP1A2KMT2ASIGMAR1
SCHEMBL27802494 0.77 L3MBTL1 (0.52) LMNAL3MBTL1CYP2C19CYP1A2KMT2A
SCHEMBL6050552 0.76 LMNA (0.54) LMNAL3MBTL1CYP2C19CYP1A2KMT2A
SCHEMBL4903097 0.75 ALDH1A1 (0.61) L3MBTL1CYP2C19CYP1A2KMT2ASIGMAR1
SCHEMBL17485679 0.75 ALDH1A1 (0.61) L3MBTL1CYP2C19CYP1A2KMT2ASIGMAR1
SCHEMBL209471 0.75 ALDH1A1 (0.61) L3MBTL1CYP2C19CYP1A2KMT2ASIGMAR1
SCHEMBL25640478 0.74 LMNA (0.47) LMNAL3MBTL1CYP2C19CYP1A2KMT2A

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 LMNA 4470/4885L3MBTL1 4349/4885CYP2C19 4718/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 LMNA 4470/4885L3MBTL1 4349/4885CYP2C19 4718/4885

“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.