Sugi Predict

Sugi Predict / Compounds / SCHEMBL1153942

SCHEMBL1153942

SCHEMBL1153942

O=C(O)C1(Cc2ccccc2)CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 3/20 0.53
▸ TACR1 P25103 2/20 0.53
▸ SIGMAR1 Q99720 6/20 0.43
▸ TP53 P04637 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ OPRL1 P41146 2/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ DRD2 P14416 1/20 0.38

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
SCHEMBL1153379 0.85 TACR3 (0.52) TACR3TACR1SIGMAR1TP53CYP1A2
SCHEMBL1153103 0.84 TACR3 (0.75) TACR3TACR1SIGMAR1TP53CYP1A2
SCHEMBL29609212 0.83 HDAC9 (0.45) TACR3TACR1SIGMAR1TP53CYP1A2
SCHEMBL2597839 0.83 HDAC9 (0.45) TACR3TACR1SIGMAR1TP53CYP1A2
SCHEMBL6751391 0.82 HDAC9 (0.44) TACR3TACR1SIGMAR1TP53CYP1A2
SCHEMBL16116728 0.82 HDAC9 (0.44) TACR3TACR1SIGMAR1TP53CYP1A2
SCHEMBL7398453 0.79 SIGMAR1 (0.44) TACR3TACR1SIGMAR1TP53CYP1A2
SCHEMBL16075939 0.78 TACR3 (0.44) TACR3TACR1HDAC9HCAR2
SCHEMBL11496823 0.76 SIGMAR1 (0.45) TACR3TACR1SIGMAR1HDAC9HCAR2
SCHEMBL18088634 0.76 HDAC9 (0.40) TACR3TACR1SIGMAR1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257167-B1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2015-07-22 — — EP disclosed
US-8492387-B2 2-aminoimidazole beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-07-23 — — US disclosed
US-20110034483-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Via EFS 2011-02-10 — — US disclosed
EP-2257167-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2010-12-08 — — EP disclosed
WO-2009108550-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2009-09-03 — — WO 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-20110034483-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE2, BACE1, APH1B TACR3 3547/4885TACR1 3422/4885SIGMAR1 4626/4885

“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.