SCHEMBL12846708

SCHEMBL12846708

CCN1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM3 P20309 1/20 0.58
SIGMAR1 Q99720 11/20 0.49
DRD2 P14416 3/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HTR2B P41595 3/20 0.49
CXCR3 P49682 1/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRA1B P35368 1/20 0.46
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7014779 0.83 SIGMAR1 (0.59) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9687743 0.80 CHRM2 (0.46) CHRM2CHRM3CYP2C19OPRL1MEN1
SCHEMBL14027005 0.79 SIGMAR1 (0.54) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL10566456 0.79 SIGMAR1 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6777379 0.78 SIGMAR1 (0.60) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL10567177 0.76 SIGMAR1 (0.47) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9664101 0.76 SIGMAR1 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL10565198 0.75 SIGMAR1 (0.48) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL1043555 0.75 CHRM2 (1.00) CHRM2CHRM3SIGMAR1HTR2AHTR2C
SCHEMBL7012412 0.74 EGLN1 (0.57) SIGMAR1DRD2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3231804-B1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS MASSACHUSETTS GEN HOSPITAL (US) 2021-03-03 EP disclosed
US-10857247-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders THE GENERAL HOSPITAL CORPORATION (US) 2020-12-08 US disclosed
EP-3231804-A1 COMPOUNDS AND COMPOSITIONS FOR THE DETECTION AND TREATMENT OF ALZHEIMER'S DISEASE AND RELATED DISORDERS The General Hospital Corporation (US) 2017-10-18 EP disclosed
US-9005578-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders FLUOROPHARMA, INC. (US) 2015-04-14 US disclosed
US-20150098903-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders THE GENERAL HOSPITAL CORPORATION 2015-04-09 US disclosed
US-8450466-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders THE GENERAL HOSPTIAL CORPORATION (US) 2013-05-28 US disclosed
US-20110060138-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders THE GENERAL HOSPITAL CORPORATION 2011-03-10 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 (3 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-10857247-B2 Compounds and compositions for the detection and treatment of Alzheimer's disease and related disorders APP, PSEN1, PSEN2 CHRM2 276/4885CHRM3 244/4885SIGMAR1 3252/4885
US-20150098903-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders APP, PSEN1, PSEN2 CHRM2 276/4885CHRM3 244/4885SIGMAR1 3252/4885
US-20110060138-A1 Compounds and Compositions for the Detection and Treatment of Alzheimer's Disease and Related Disorders APP, PSEN1, PSEN2 CHRM2 276/4885CHRM3 244/4885SIGMAR1 3252/4885

“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.