SCHEMBL15436137

SCHEMBL15436137

COc1ccc(CCN2CC3CCCC(C2=O)N3C(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.49
POLB P06746 3/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PDE4B Q07343 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CHRM3 P20309 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL15436127 0.92 FKBP5 (0.50) FKBP5POLBNPC1TP53RAB9A
SCHEMBL15436111 0.87 FKBP5 (0.66) FKBP5TP53ALDH1A1PDE4BSMN1; SMN2
SCHEMBL15436112 0.81 HTR2C (0.46) NPC1RAB9ASIGMAR1SMN1; SMN2FKBP1A
SCHEMBL6778877 0.80 FKBP5 (0.51) FKBP5POLBNPC1TP53RAB9A
SCHEMBL6623524 0.80 HTR2C (0.41) FKBP5NPC1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL16859292 0.80 FKBP5 (0.67) FKBP5TP53ALDH1A1SIGMAR1PDE4B
SCHEMBL6778408 0.80 FKBP5 (0.50) FKBP5POLBNPC1TP53RAB9A
SCHEMBL6776517 0.79 FKBP5 (0.45) FKBP5POLBNPC1TP53RAB9A
SCHEMBL6779144 0.76 SIGMAR1 (0.50) POLBNPC1TP53RAB9AMAPK1
SCHEMBL3932386 0.73 HTR2C (0.53) NPC1RAB9ATSHRSIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877470-B1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS E V (DE) 2017-09-13 EP disclosed
US-9371322-B2 Bicyclic aza-amides for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-06-21 US disclosed
US-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESSELSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2015-07-02 US disclosed
EP-2877470-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-06-03 EP disclosed
WO-2014015993-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-01-30 WO disclosed
EP-2690102-A1 Bicyclic aza-amides for treatment of psychiatric disorders Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-01-29 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 (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-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS BDNF, MAOA, HDAC10 FKBP5 61/4885POLB 1879/4885NPC1 351/4885

“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.