SCHEMBL2013869

SCHEMBL2013869

CN1CCN(c2ccc3cc(C=O)ccc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
HTR3A P46098 1/20 0.63
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
APP P05067 1/20 0.47
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 4/20 0.46
ABL1 P00519 1/20 0.45
GAA P10253 3/20 0.45
PTK2B Q14289 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
ADRA2C P18825 2/20 0.44

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
SCHEMBL30343617 0.85 TRIM24 (0.61) ALDH1A1HTR3ATRIM24TRIM33APP
SCHEMBL24989604 0.85 TRIM24 (0.61) ALDH1A1HTR3ATRIM24TRIM33APP
SCHEMBL30343620 0.85 TRIM24 (0.67) ALDH1A1HTR3ATRIM24TRIM33APP
SCHEMBL24988105 0.85 TRIM24 (0.67) ALDH1A1HTR3ATRIM24TRIM33APP
SCHEMBL1688374 0.83 ALDH1A1 (0.68) ALDH1A1TRIM24TRIM33APPKDM4E
SCHEMBL29663202 0.83 ALDH1A1 (0.68) ALDH1A1TRIM24TRIM33APPKDM4E
SCHEMBL208547 0.83 ALDH1A1 (1.00) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL1688379 0.81 ALDH3A1 (0.56) ALDH1A1TRIM24TRIM33APPKDM4E
SCHEMBL31611878 0.81 HTR3E (0.63) ALDH1A1HTR3ATRIM24TRIM33KDM4E
SCHEMBL1444185 0.80 ALDH1A1 (0.64) ALDH1A1HTR3AKDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2021-05-13 US disclosed
EP-3709022-A1 USES OF LABELED HSP90 INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2020-09-16 EP disclosed
EP-3208615-B1 USES OF LABELED HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-10-09 EP disclosed
US-20170315137-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-02 US disclosed
EP-3208615-A2 USES OF LABELED HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2017-08-23 EP disclosed
EP-2729806-B1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-22 EP disclosed
US-9555137-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-01-31 US disclosed
US-9555137-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-01-31 US disclosed
US-9551722-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-24 US disclosed
US-20150177262-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-25 US disclosed
EP-2509940-B1 AMYLOID BINDING AGENTS UNIV CALIFORNIA (US) 2015-06-10 EP disclosed
US-8940918-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-27 US disclosed
US-20140294725-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-10-02 US disclosed
US-20140294725-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-10-02 US disclosed
US-20140242602-A1 USES OF LABELED HSP90 INHIBITORS CORNELL UNIVERSITY (US) 2014-08-28 US disclosed
US-20140242602-A1 USES OF LABELED HSP90 INHIBITORS CORNELL UNIVERSITY (US) 2014-08-28 US disclosed
EP-2509940-A2 AMYLOID BINDING AGENTS The Regents of the University of California (US) 2012-10-17 EP disclosed
WO-2011072257-A2 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 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 (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-20170315137-A1 AMYLOID BINDING AGENTS APBA1, APP, PSEN1 ALDH1A1 4267/4885HTR3A 2937/4885TRIM24 1982/4885
US-20140294725-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 2442/4885HTR3A 3983/4885TRIM24 2447/4885
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 1352/4885HTR3A 4032/4885TRIM24 2124/4885

“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.