SCHEMBL13347703

SCHEMBL13347703

CCc1ccccc1CNC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ HTT P42858 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ GLA P06280 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ MPO P05164 1/20 0.45
▸ TPO P07202 1/20 0.45
▸ USP2 O75604 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
SCHEMBL8851234 0.84 TACR1 (0.42) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL531088 0.81 KDM4E (0.51) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL9346814 0.80 KDM4E (0.53) KMT2AKDM4EALDH1A1MEN1PKM
Hydrochloric Acid SCHEMBL11781117 0.80 HTT (0.50) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL21799911 0.80 HTT (0.53) KMT2AKDM4EALDH1A1MEN1PKM
Hydrochloric Acid SCHEMBL11779650 0.79 KDM4E (0.52) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL13310550 0.79 CYP2D6 (0.49) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL1566337 0.78 ALDH1A1 (0.64) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL20510132 0.77 KDM4E (0.51) KMT2AKDM4EALDH1A1MEN1PKM
SCHEMBL1143633 0.77 KDM4E (0.58) KMT2AKDM4EALDH1A1MEN1PKM

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-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 — — US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 — — 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 (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-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH KMT2A 3165/4885KDM4E 4180/4885ALDH1A1 1525/4885

“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.

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