SCHEMBL12846321

SCHEMBL12846321

CCCCOC[C@H](N)C#Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.41
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
SCN4A P35499 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACACB O00763 2/20 0.32
SLC2A1 P11166 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
SCHEMBL12846137 1.00 KCNH2 (0.41) KCNH2MMP2MMP9MMP12SCN4A
SCHEMBL12846088 1.00 KCNH2 (0.41) KCNH2MMP2MMP9MMP12SCN4A
SCHEMBL14465175 0.76 KCNH2 (0.42) KCNH2MMP2MMP9MMP12LMNA
SCHEMBL12846320 0.75 SCN4A (0.50) SCN4ASMN1; SMN2LMNAKDM4ETHRB
SCHEMBL12785396 0.74 TACR1 (0.44) SCN4ANPC1RAB9A
SCHEMBL12785413 0.74 TACR1 (0.44) SCN4ANPC1RAB9A
SCHEMBL12785411 0.74 TACR1 (0.44) SCN4ANPC1RAB9A
SCHEMBL9512258 0.69 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL12846089 0.69 KCNH2 (0.40) KCNH2KDM4ETHRBTDP1
SCHEMBL12784448 0.69 ADRB2 (0.48) KCNH2LMNAACACB

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-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 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-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 KCNH2 2368/4885MMP2 4305/4885MMP9 3744/4885

“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.