SCHEMBL13780705

SCHEMBL13780705

O=C(O)CN1CCN(c2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.58
▸ HTR3A P46098 2/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ HTR3E A5X5Y0 1/20 0.51
▸ HTR3B O95264 1/20 0.51
▸ HTR5A P47898 1/20 0.51
▸ HTR3D Q70Z44 1/20 0.51
▸ HTR3C Q8WXA8 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTR1A P08908 5/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ S1PR1 P21453 1/20 0.49
▸ HTR7 P34969 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL6301694 0.82 MAPT (0.72) ALDH1A1MAPTHTR1ATSHRS1PR1
Hydrochloric Acid SCHEMBL1374296 0.80 MAPT (0.70) ALDH1A1MAPTHTR1ATSHRS1PR1
SCHEMBL13780698 0.80 GAA (0.63) ALDH1A1MAPTTSHRS1PR1POLB
SCHEMBL21044068 0.79 KMT2A (0.71) SIGMAR1
SCHEMBL30218457 0.79 KMT2A (0.71) SIGMAR1
SCHEMBL13234976 0.79 MAPT (0.67) ALDH1A1MAPTHTR1ALMNATSHR
SCHEMBL12806786 0.78 HTR3A (0.72) SIGMAR1HTR3AAKR1C3HTR3EHTR3B
SCHEMBL6232404 0.78 KMT2A (0.71) SIGMAR1HTR3AHTR3EHTR3BHTR5A
SCHEMBL2881604 0.78 MAPT (0.66) ALDH1A1MAPTHTR1ALMNATSHR
SCHEMBL18741375 0.78 HTR3A (0.67) SIGMAR1HTR3AAKR1C3HTR3EHTR3B

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-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 — — 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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 SIGMAR1 3905/4885HTR3A 3131/4885AKR1C3 2475/4885

“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.

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