SCHEMBL8773399

SCHEMBL8773399

CCCc1ccc2occc(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.52
MAOB P27338 12/20 0.52
SIGMAR1 Q99720 3/20 0.48
MTNR1A P48039 1/20 0.47
FTO Q9C0B1 1/20 0.46
ACHE P22303 1/20 0.45
DYRK1A Q13627 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A4 P31645 1/20 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
SCHEMBL12043924 0.86 MAOA (0.55) MAOAMAOBSIGMAR1FTOACHE
SCHEMBL3818357 0.77 SIGMAR1 (0.65) MAOAMAOBSIGMAR1ACHEHTR1A
SCHEMBL24758096 0.76 MAOA (0.46) MAOAMAOBSIGMAR1FTOACHE
Hydrochloric Acid SCHEMBL3812840 0.76 SIGMAR1 (0.63) MAOAMAOBSIGMAR1ACHEHTR1A
SCHEMBL3812975 0.76 MAOA (0.50) MAOAMAOBSIGMAR1ACHEHTR1A
SCHEMBL12386444 0.75 STS (0.59) MTNR1A
SCHEMBL30768030 0.75 MAOA (0.50) MAOAMAOBFTOACHEDYRK1A
SCHEMBL3792011 0.75 HTR1B (0.55) DYRK1A
SCHEMBL2976539 0.73 SIGMAR1 (0.73) MAOAMAOBSIGMAR1ACHE
SCHEMBL8773487 0.73 MTNR1A (0.53) MAOAMAOBMTNR1AHTR1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B MAOA 104/4885MAOB 75/4885SIGMAR1 27/4885

“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.