SCHEMBL9939631

SCHEMBL9939631

Nc1cc(OCCN2CCCCC2)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
POLB P06746 1/20 0.65
HRH3 Q9Y5N1 4/20 0.57
LTA4H P09960 4/20 0.56
PTGS2 P35354 2/20 0.56
PTGS1 P23219 1/20 0.56
ALDH1A1 P00352 2/20 0.56
PSMB1 P20618 1/20 0.55
PSMB5 P28074 1/20 0.55
PSMB2 P49721 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
ESR1 P03372 2/20 0.54
ESR2 Q92731 2/20 0.54
TSHR P16473 1/20 0.52
BACE1 P56817 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL9939076 0.86 KDM4E (0.77) KDM4EHRH3LTA4HALDH1A1TSHR
SCHEMBL1911982 0.80 LTA4H (0.55) KDM4EPOLBHRH3LTA4HPTGS2
SCHEMBL14100107 0.79 KDM4E (0.64) KDM4EHRH3LTA4HPTGS2PTGS1
SCHEMBL3720669 0.79 KDM4E (0.69) KDM4EPOLBHRH3LTA4HPTGS2
SCHEMBL7564110 0.79 KDM4E (0.82) KDM4EPOLBHRH3ALDH1A1SMN1; SMN2
SCHEMBL1622564 0.79 HRH3 (0.64) KDM4EHRH3KCNH2
SCHEMBL11715228 0.78 LTA4H (0.71) HRH3LTA4HPTGS2PTGS1PSMB1
SCHEMBL10207620 0.78 LTA4H (0.56) KDM4EPOLBLTA4HPTGS2PTGS1
SCHEMBL11716286 0.78 LTA4H (0.68) KDM4EPOLBHRH3LTA4HPTGS2
SCHEMBL23724061 0.78 LTA4H (0.87) HRH3LTA4HPTGS2PTGS1PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
EP-2651416-A1 COMPOUNDS USEFUL FOR TREATING AIDS Splicos (FR) 2013-10-23 EP disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 WO disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 EP 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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 KDM4E 3456/4885POLB 2612/4885HRH3 33/4885

“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.