SCHEMBL4874313

SCHEMBL4874313

[CH2]C(=O)NCC1CCCN(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.37
EPHX1 P07099 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
KMT2A Q03164 2/20 0.36
CCR3 P51677 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KCNH2 Q12809 2/20 0.36
CCR2 P41597 1/20 0.36
NAMPT P43490 1/20 0.36
FAP Q12884 2/20 0.36
CACNA1H O95180 1/20 0.36
CYP2D6 P10635 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL3937928 0.89 NAMPT (0.42) EPHX1NAMPTEPHX2
SCHEMBL17207607 0.88 CCR3 (0.44) SMN1; SMN2KDM4EGFEREPHX1SIGMAR1
SCHEMBL14155724 0.88 CCR3 (0.44) SMN1; SMN2KDM4EGFEREPHX1SIGMAR1
SCHEMBL14559366 0.88 CCR3 (0.44) SMN1; SMN2KDM4EGFEREPHX1SIGMAR1
SCHEMBL25051622 0.84 CYP2D6 (0.50) SMN1; SMN2KDM4EGFEREPHX1SIGMAR1
SCHEMBL13436977 0.83 TDP1 (0.55) SMN1; SMN2KDM4EGFEREPHX1SIGMAR1
SCHEMBL19658450 0.81 PREP (0.48) SMN1; SMN2KDM4EGFEREPHX1SIGMAR1
SCHEMBL25808542 0.77 MTNR1A (0.44) CCR3NAMPTFAPCACNA1HDPP4
SCHEMBL5740884 0.77 MTNR1A (0.44) CCR3NAMPTFAPCACNA1HDPP4
SCHEMBL16020332 0.76 DRD2 (0.46) SMN1; SMN2EPHX1KMT2AALDH1A1NAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS SMN1; SMN2 3771/4885KDM4E 2576/4885GFER 3679/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 SMN1; SMN2 2173/4885KDM4E 2663/4885GFER 3712/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 1929/4885KDM4E 3075/4885GFER 3933/4885

“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.