SCHEMBL18354579

SCHEMBL18354579

CC(C)(C)Cc1cnnn1C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.42
MGAM O43451 3/20 0.41
AMY1A P0DUB6 3/20 0.41
GAA P10253 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
F2 P00734 2/20 0.41
SLC9A1 P19634 1/20 0.41
ELANE P08246 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL18354586 0.68 SLC9A1 (0.41) HSD11B1GAAHPGDKMT2ASLC9A1
SCHEMBL1691202 0.60 THRA (0.56) GAAHPGDELANEMAPT
SCHEMBL6260923 0.59 MGAM (0.53) HSD11B1MGAMAMY1AGAASI
SCHEMBL3242580 0.58 MAPT (0.56) GAAHPGDKMT2ACYP1A2MAPT
Benzoic Acid SCHEMBL11126820 0.58 TSHR (0.64) HPGDKMT2AMAPTCYP2C9
Benzoic Acid SCHEMBL27397300 0.58 TSHR (0.64) HPGDKMT2AMAPTCYP2C9
Benzoic Acid SCHEMBL2032078 0.58 TSHR (0.64) HPGDKMT2ACYP1A2MAPTCYP2C9
Benzoic Acid SCHEMBL6934526 0.58 TSHR (0.64) HPGDKMT2ACYP1A2MAPTCYP2C9
SCHEMBL12770991 0.58 ENPP3 (0.73) GAAKMT2AMAPT
SCHEMBL496975 0.58 ELANE (0.70) MGAMAMY1AGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914732-B2 Diazabicyclo[4.3.1]decane derivatives for treatment of psychiatric disorders MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2018-03-13 US disclosed
US-9914732-B2 Diazabicyclo[4.3.1]decane derivatives for treatment of psychiatric disorders MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2018-03-13 US disclosed
US-20170002003-A1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2017-01-05 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 (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-20170002003-A1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS SNCA, DDT, DRD1 HSD11B1 366/4885MGAM 2160/4885AMY1A 1351/4885

“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.