SCHEMBL6496271

SCHEMBL6496271

CN(C)CC(=O)NCC1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
PBK Q96KB5 6/20 0.41
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
CHEK1 O14757 2/20 0.37
KMT2A Q03164 1/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
IGLV6-57 P01721 1/20 0.36
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35

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
SCHEMBL16509283 0.83 EPHX1 (0.44) EPHX1PBKCPN1CPB2CHEK1
SCHEMBL12507030 0.83 EPHX1 (0.44) EPHX1PBKCPN1CPB2CHEK1
Hydrochloric Acid SCHEMBL31037016 0.81 EPHX1 (0.43) EPHX1PBKCPN1CPB2CHEK1
SCHEMBL5773080 0.81 ALOX15 (0.51) EPHX1TSHR
SCHEMBL27732947 0.80 EPHX1 (0.44) EPHX1PBKCPN1CPB2CHEK1
Hydrochloric Acid SCHEMBL6403152 0.80 ALOX15 (0.50) EPHX1TSHR
SCHEMBL13212506 0.79 PBK (0.45) EPHX1PBKCPN1CPB2CHEK1
SCHEMBL3952147 0.79 PBK (0.45) EPHX1PBKCPN1CPB2CHEK1
SCHEMBL13186049 0.79 PBK (0.45) EPHX1PBKCPN1CPB2CHEK1
SCHEMBL12413707 0.79 CPN1 (0.42) EPHX1PBKCPN1CPB2CHEK1

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-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 EPHX1 1332/4885PBK 3221/4885CPN1 960/4885

“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.