SCHEMBL5777653

SCHEMBL5777653

CC(C)(C)OC(=O)N1CCc2c(cnn2CCN2CCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
MAPT P10636 2/20 0.45
HPGDS O60760 2/20 0.45
NR1H2 P55055 2/20 0.45
SLC34A1 Q06495 1/20 0.40
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.37
PDK2 Q15119 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
SCHEMBL1881390 0.88 ESR2 (0.47) ESR2MAPTHPGDSNR1H2SLC34A1
SCHEMBL30171269 0.85 ESR2 (0.48) ESR2MAPTHPGDSNR1H2SLC34A1
SCHEMBL7988322 0.84 ESR2 (0.47) ESR2MAPTHPGDSNR1H2SLC34A1
SCHEMBL7986367 0.84 ESR2 (0.47) ESR2MAPTHPGDSNR1H2SLC34A1
SCHEMBL17518804 0.83 HRH3 (0.46) HPGDSSIGMAR1
SCHEMBL16217166 0.82 ESR2 (0.52) ESR2MAPTHPGDSNR1H2SLC34A1
SCHEMBL16144644 0.81 HPGDS (0.51) HPGDSSIGMAR1PDK2
SCHEMBL17516261 0.80 SIGMAR1 (0.40) HPGDSSIGMAR1PDK2
SCHEMBL20792551 0.80 MAPT (0.53) ESR2MAPTHPGDSNR1H2SLC34A1
SCHEMBL7975140 0.80 ESR2 (0.44) ESR2MAPTHPGDSNR1H2SLC34A1

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 ESR2 363/4885MAPT 4800/4885HPGDS 110/4885

“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.