SCHEMBL2824476

SCHEMBL2824476

CC(C)(Oc1ccc(F)cc1F)/C(=N\C#N)NC1CCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
POLB P06746 1/20 0.40
OPRL1 P41146 2/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
HSD11B1 P28845 2/20 0.35
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2824480 1.00 NPC1 (0.40) NPC1RAB9APOLBOPRL1CNR1
SCHEMBL2822221 0.89 HSD11B1 (0.44) NPC1RAB9AOPRL1HSD11B1KMT2A
SCHEMBL2822220 0.89 HSD11B1 (0.44) NPC1RAB9AOPRL1HSD11B1KMT2A
SCHEMBL2823390 0.81 HSD11B1 (0.38) RAB9AHSD11B1KMT2AALDH1A1
SCHEMBL2823391 0.81 HSD11B1 (0.38) RAB9AHSD11B1KMT2AALDH1A1
SCHEMBL2824481 0.78 GPR6 (0.33) NPC1RAB9APOLBOPRL1
SCHEMBL2823970 0.77 HSD11B1 (0.47) HSD11B1
SCHEMBL2823974 0.77 HSD11B1 (0.47) HSD11B1
SCHEMBL2826225 0.77 HSD11B1 (0.40) NPC1CNR2HSD11B1ALDH1A1
SCHEMBL2826231 0.77 HSD11B1 (0.40) NPC1CNR2HSD11B1ALDH1A1

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 NPC1 863/4885RAB9A 2938/4885POLB 3614/4885

“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.