SCHEMBL1646796

SCHEMBL1646796

O=Cc1ccc(N2CCCCC2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TERT O14746 3/20 0.50
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
IP6K1 Q92551 3/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
MAP4K4 O95819 1/20 0.45
IP6K3 Q96PC2 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL15474866 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL15475184 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EPIK3CDPIK3CA
SCHEMBL1647993 0.83 PIK3CD (0.48) ALDH1A1SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL15474510 0.83 PIK3CD (0.68) ALDH1A1SMN1; SMN2KDM4EPIK3CDPIK3CA
SCHEMBL31494973 0.83 CHRNB2 (0.49) ALDH1A1KDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL23932966 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ETERTTRIM24
SCHEMBL159816 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ETERTTRIM24
SCHEMBL14941727 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4ETERTTRIM24
SCHEMBL11297084 0.79 PIK3CD (0.71) ALDH1A1SMN1; SMN2KDM4ETERTTRIM24
SCHEMBL1647156 0.77 DRD4 (0.50) ALDH1A1KDM4EMAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577356-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2020-03-03 US disclosed
US-20190040045-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2019-02-07 US disclosed
US-10118914-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2018-11-06 US disclosed
US-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2017-06-15 US disclosed
US-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2017-06-15 US disclosed
WO-2015195486-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2015-12-23 WO disclosed
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
CN-102046575-A Therapeutic agent for alzheimer's disease TOKYO INST TECH 2011-05-04 CN disclosed
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP 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 (5 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-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM CNR1, CNR2, ARRB1 ALDH1A1 2372/4885SMN1; SMN2 4038/4885KDM4E 2701/4885
US-10577356-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them CNR1, CNR2, ARRB1 ALDH1A1 2372/4885SMN1; SMN2 4038/4885KDM4E 2701/4885
US-10118914-B2 Beta-arrestin-biased cannabinoid CB1 receptor agonists and methods for making and using them CNR1, CNR2, ARRB1 ALDH1A1 2372/4885SMN1; SMN2 4038/4885KDM4E 2701/4885
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 ALDH1A1 683/4885SMN1; SMN2 760/4885KDM4E 1786/4885
US-20190040045-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM CNR1, CNR2, ARRB1 ALDH1A1 2372/4885SMN1; SMN2 4038/4885KDM4E 2701/4885

“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.