SCHEMBL21118237

SCHEMBL21118237

CCCN(C)Cc1ccc(CN(C)CCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
PYCR1 P32322 7/20 0.47
SIGMAR1 Q99720 3/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.42
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL16550458 0.93 KDM4E (0.53) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL14006726 0.89 PYCR1 (0.56) HRH3KDM4EALDH1A1PYCR1SIGMAR1
SCHEMBL15308539 0.89 PYCR1 (0.56) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL3152090 0.89 MAPT (0.58) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL14873857 0.89 KDM4E (0.50) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL23601608 0.89 ALDH1A1 (0.46) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL4667028 0.89 CARM1 (0.52) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL1241978 0.89 KDM4E (0.70) HRH3KDM4EALDH1A1CARM1PRMT6
SCHEMBL172637 0.88 CARM1 (0.67) KDM4EALDH1A1CARM1PRMT6PRMT8
Hydrochloric Acid SCHEMBL17710433 0.86 CARM1 (0.64) KDM4EALDH1A1CARM1PRMT6PRMT8

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-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2019-06-06 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-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF IDO1, IDO2, INMT HRH3 1490/4885KDM4E 986/4885ALDH1A1 304/4885

“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.