SCHEMBL3594380

SCHEMBL3594380

C=CC[C@H]1C(=O)CCC[C@@H]1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
PRSS1 P07477 2/20 0.38
CTRC Q99895 2/20 0.38
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
HTR1A P08908 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 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
SCHEMBL29130729 0.81 TDP1 (0.37) AKR1C4AKR1C3AKR1C2KMT2ACA1
SCHEMBL22462732 0.81 TDP1 (0.37) AKR1C4AKR1C3AKR1C2KMT2ACA1
SCHEMBL14503064 0.79 PRSS1 (0.40) AKR1C4AKR1C3AKR1C2MEN1ALDH1A1
SCHEMBL9501225 0.75 KMT2A (0.44) MEN1ALDH1A1KMT2ACHRNB2CHRNA7
SCHEMBL20969209 0.74 ALDH1A1 (0.46) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL20969924 0.74 ALDH1A1 (0.46) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL27702076 0.74 ALDH1A1 (0.38) AKR1C4AKR1C3AKR1C2ALDH1A1CHRNB2
SCHEMBL9615194 0.73 AKR1C4 (0.42) AKR1C4AKR1C3AKR1C2MEN1ALDH1A1
SCHEMBL9541433 0.73 MEN1 (0.45) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL13550983 0.73 AKR1C4 (0.55) AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
EP-1748982-B1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2009-07-29 EP disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 US disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 US disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 US disclosed
WO-2005108362-A1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2005-11-17 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-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease APP, BACE1, CHAT AKR1C4 866/4885AKR1C3 733/4885AKR1C2 557/4885

“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.