SCHEMBL15436112

SCHEMBL15436112

CCN1CC2CCCC(C1=O)N2C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
AGTR2 P50052 5/20 0.45
FKBP1A P62942 2/20 0.45
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TMEM97 Q5BJF2 4/20 0.41
SIGMAR1 Q99720 4/20 0.41
CYP2C19 P33261 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40

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
SCHEMBL6623524 0.86 HTR2C (0.41) HTR2CAGTR2FKBP1ACACNA1GCACNA1H
SCHEMBL15436137 0.81 FKBP5 (0.49) FKBP1ASMN1; SMN2NPC1RAB9ASIGMAR1
SCHEMBL3932386 0.80 HTR2C (0.53) HTR2CAGTR2FKBP1ACACNA1GCACNA1H
SCHEMBL31295228 0.80 HTR2C (0.50) HTR2CAGTR2FKBP1ASMN1; SMN2NPC1
SCHEMBL15436111 0.79 FKBP5 (0.66) FKBP1ASMN1; SMN2
SCHEMBL14336080 0.76 HTR2C (0.57) HTR2CAGTR2FKBP1ACACNA1GCACNA1H
SCHEMBL15436077 0.76 HTR2C (0.52) HTR2CAGTR2FKBP1ASMN1; SMN2NPC1
SCHEMBL18354676 0.76 HTR2C (0.40) HTR2CAGTR2FKBP1ACACNA1GCACNA1H
SCHEMBL16859290 0.75 GLA (0.48) HTR2CFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL15436127 0.74 FKBP5 (0.50) FKBP1ASMN1; SMN2NPC1RAB9ASIGMAR1

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 HTR2C 74/4885AGTR2 3463/4885FKBP1A 98/4885

“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.