SCHEMBL18993180

SCHEMBL18993180

CC(C)(C)OC(=O)N1C2CC[C@@H](C2)[C@H]1C(=O)Nc1cc(Br)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.47
AAK1 Q2M2I8 5/20 0.43
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 3/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 1/20 0.35
JAK1 P23458 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
SCHEMBL20462077 1.00 PREP (0.47) PREPAAK1HDAC1HDAC2CHRM2
SCHEMBL16541368 1.00 PREP (0.47) PREPAAK1HDAC1HDAC2CHRM2
SCHEMBL203803 0.92 AAK1 (0.52) PREPAAK1HDAC1CHRM2CHRM1
SCHEMBL2707662 0.92 AAK1 (0.52) PREPAAK1HDAC1CHRM2CHRM1
SCHEMBL16004387 0.92 AAK1 (0.52) PREPAAK1HDAC1CHRM2CHRM1
SCHEMBL18993181 0.92 AAK1 (0.52) PREPAAK1HDAC1CHRM2CHRM1
SCHEMBL14948527 0.87 PREP (0.46) PREPAAK1CHRM2CHRM1CHRM3
SCHEMBL15406118 0.85 PREP (0.42) PREPAAK1HDAC1CHRM2CHRM1
SCHEMBL15406119 0.85 PREP (0.42) PREPAAK1HDAC1CHRM2CHRM1
SCHEMBL18849730 0.80 PREP (0.42) PREPCHRM2CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855478-B1 LEDIPASVIR D-TARTRATE GILEAD PHARMASSET LLC (US) 2018-08-08 EP disclosed
US-20170327488-A1 SOLID FORMS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2017-11-16 US disclosed
US-9682987-B2 Solid forms of an antiviral compound GILEAD PHARMASSET LLC (US) 2017-06-20 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-20170327488-A1 SOLID FORMS OF AN ANTIVIRAL COMPOUND EIF2AK2, ZC3HAV1, ZC3HAV1L PREP 2628/4885AAK1 1608/4885HDAC1 210/4885

“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.