SCHEMBL4887006

SCHEMBL4887006

CCC1CCCN(C(=O)c2cc(Br)ccc2N)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
CNR1 P21554 1/20 0.41
GRM5 P41594 3/20 0.41
AAK1 Q2M2I8 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4886999 0.87 GRM5 (0.42) CNR1GRM5HPGDALDH1A1NPC1
SCHEMBL4896892 0.81 KDM4E (0.44) KDM4EGLAAAK1ALDH1A1MAPT
SCHEMBL6366439 0.79 ALDH1A1 (0.56) KDM4EGLAHPGDALDH1A1MAPT
SCHEMBL4886300 0.78 HPGD (0.43) GRM5AAK1HPGDALDH1A1MAPT
SCHEMBL3899973 0.78 ALDH1A1 (0.57) KDM4EGLAHPGDALDH1A1MAPT
SCHEMBL4894273 0.76 MEN1 (0.41) KDM4ECNR1GRM5AAK1ALDH1A1
SCHEMBL14087740 0.76 L3MBTL1 (0.39) GRM5HPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL5792817 0.75 DRD2 (0.46) KDM4EGLAALDH1A1NPC1
SCHEMBL4741213 0.73 KDM4E (0.53) KDM4EGLAHPGDALDH1A1MAPT
SCHEMBL4740737 0.73 KDM4E (0.53) KDM4EGLAHPGDALDH1A1MAPT

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E KDM4E 2519/4885GLA 3732/4885CNR1 1278/4885

“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.