SCHEMBL13041583

SCHEMBL13041583

CB(O)N1CCCC2(C1)C(=O)Nc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.47
HTR2A P28223 12/20 0.47
HTR7 P34969 12/20 0.47
HTR6 P50406 12/20 0.47
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
BACE1 P56817 2/20 0.45
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 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
SCHEMBL10253535 0.87 OPRM1 (0.52) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL6636785 0.77 HTR7 (0.56) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL26025784 0.76 OPRM1 (0.56) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL6635126 0.76 HTR1A (0.49) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL6635868 0.75 HTR7 (0.60) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL6636447 0.75 HTR7 (0.60) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL6638270 0.75 HTR7 (0.60) HTR1AHTR2AHTR7HTR6OPRM1
Hydrochloric Acid SCHEMBL6639494 0.74 HTR7 (0.59) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL6635753 0.74 HTR1A (0.53) HTR1AHTR2AHTR7HTR6OPRM1
Hydrochloric Acid SCHEMBL6636962 0.74 HTR7 (0.59) HTR1AHTR2AHTR7HTR6OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 HTR1A 880/4885HTR2A 339/4885HTR7 797/4885

“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.