SCHEMBL14321746

SCHEMBL14321746

Cc1ccc(-c2ccc3ncc(CCC(=O)N(C)C4CCCCC4)cc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.52
PDE3B Q13370 12/20 0.49
PDE3A Q14432 12/20 0.49
P2RY12 Q9H244 12/20 0.49
PDE2A O00408 8/20 0.44
MAP4K4 O95819 1/20 0.44
S1PR1 P21453 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL11520 0.87 BACE1 (0.70) BACE1PDE3BPDE3AP2RY12PDE2A
SCHEMBL14297341 0.70 NPC1 (0.55) S1PR1MEN1NPC1ALDH1A1RAB9A
SCHEMBL9829 0.69 BACE1 (1.00) BACE1
Methane SCHEMBL10505710 0.64 BACE1 (0.61) BACE1PDE3BPDE3AP2RY12MEN1
SCHEMBL10723835 0.63 ALDH1A1 (0.59) BACE1PDE3BPDE3AMEN1NPC1
SCHEMBL6700312 0.63 ME2 (0.35)
SCHEMBL6700320 0.63 ME2 (0.35)
SCHEMBL2407533 0.63 KCNH2 (0.49) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL14950289 0.63 FAAH (0.66) S1PR1NPC1RAB9ATP53POLB
SCHEMBL13956186 0.62 MEN1 (0.49) MAP4K4MEN1NPC1ALDH1A1RAB9A

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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP BACE1 1/4885PDE3B 970/4885PDE3A 1709/4885

“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.