SCHEMBL2824481

SCHEMBL2824481

CC(C)(Oc1ccc(F)cc1F)C(=NC1CCCCCCC1)NC#N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 9/20 0.33
GCK P35557 2/20 0.33
P2RX7 Q99572 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
OPRL1 P41146 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2822224 0.89 HSD11B1 (0.38) GPR6P2RX7SIGMAR1OPRL1
SCHEMBL2823394 0.81 SIGMAR1 (0.38) GPR6GCKP2RX7SIGMAR1
SCHEMBL2824480 0.78 NPC1 (0.40) OPRL1NPC1POLBRAB9A
SCHEMBL2824476 0.78 NPC1 (0.40) OPRL1NPC1POLBRAB9A
SCHEMBL2826228 0.77 SIGMAR1 (0.41) P2RX7SIGMAR1
SCHEMBL2823973 0.76 HSD11B1 (0.39) P2RX7
SCHEMBL2824719 0.76 HSD11B1 (0.38) P2RX7
SCHEMBL2822163 0.75 HSD11B1 (0.47) PPARGPPARA
SCHEMBL2822936 0.73 HSD11B1 (0.55)
SCHEMBL2825682 0.73 HSD11B1 (0.55)

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
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 GPR6 3059/4885GCK 472/4885P2RX7 4138/4885

“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.