SCHEMBL21743777

SCHEMBL21743777

CN1CCCC1CC(=O)Nc1cccc2c1CCNC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM3 P20309 12/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GHSR Q92847 2/20 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
SCHEMBL21744608 0.79 CXCR4 (0.33) ALDH1A1CHRM3KDM4EPOLBGHSR
SCHEMBL27372303 0.78 ALDH1A1 (0.52) ALDH1A1MEN1LMNATHRATHRB
SCHEMBL23619640 0.75 ALDH1A1 (0.47) ALDH1A1MEN1LMNATHRATHRB
SCHEMBL29865634 0.75 KDM4E (0.51) ALDH1A1MEN1LMNATHRATHRB
SCHEMBL1011302 0.74 NPC1 (0.52) ALDH1A1MEN1LMNATHRATHRB
SCHEMBL21743774 0.73 MEN1 (0.55) ALDH1A1MEN1LMNAKMT2AKDM4E
SCHEMBL11738897 0.72 TSHR (0.45) ALDH1A1MEN1LMNATHRATHRB
SCHEMBL14863130 0.71 CD44 (0.46) ALDH1A1MEN1LMNATHRATHRB
SCHEMBL14862831 0.71 KMT2A (0.56) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8207031 0.70 L3MBTL1 (0.51) MEN1KMT2AKDM4EPOLB

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 ALDH1A1 1760/4885MEN1 4543/4885LMNA 4470/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 ALDH1A1 1760/4885MEN1 4543/4885LMNA 4470/4885

“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.