SCHEMBL18920437

SCHEMBL18920437

CC#CCNC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP7 Q9UHL4 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PABPC1 P11940 1/20 0.35
DPP4 P27487 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 2/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCL12 P48061 1/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL10780970 0.93
SCHEMBL28091760 0.79 KDM4E (0.40) KDM4EALDH1A1HSD17B10DPP7HRH3
SCHEMBL18920127 0.77 OPRL1 (0.33)
SCHEMBL18919951 0.76 LMNA (0.32)
SCHEMBL18920223 0.74 PTPN2 (0.31)
SCHEMBL18920209 0.74 EPHX2 (0.33)
SCHEMBL7747093 0.73 KDM4E (0.48) KDM4EALDH1A1HSD17B10DPP7HRH3
SCHEMBL939875 0.73 KDM4E (0.48) KDM4EALDH1A1HSD17B10DPP7HRH3
SCHEMBL1965670 0.73 MAOA (0.43) KDM4EALDH1A1HSD17B10DPP7HRH3
SCHEMBL7748472 0.73 KDM4E (0.48) KDM4EALDH1A1HSD17B10DPP7HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-11-22 US disclosed
EP-3383866-A1 TETRAHYDROISOQUINOLINE DERIVATIVES ViiV Healthcare UK Limited (GB) 2018-10-10 EP disclosed
WO-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed
WO-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 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 (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-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES MAVS, EIF2AK2, SARS1 KDM4E 3772/4885ALDH1A1 1159/4885HSD17B10 2003/4885

“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.