SCHEMBL5773562

SCHEMBL5773562

O=C(O)N1CCc2c(cccc2OC2CCCN2Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACACB O00763 3/20 0.42
CPT2 P23786 2/20 0.42
CPT1A P50416 2/20 0.42
HTR1A P08908 2/20 0.39
GAA P10253 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
UCHL1 P09936 1/20 0.38
ABHD6 Q9BV23 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5774902 0.82 CPT2 (0.45) ACACBCPT2CPT1AUCHL1ABHD6
SCHEMBL17607362 0.78 ACACB (0.51) ACACBCPT2CPT1AABHD6
SCHEMBL5778766 0.74 KDM4E (0.48) KDM4EACACBCPT2CPT1AKMT2A
SCHEMBL5776395 0.71 TMEM97 (0.45) CPT2CPT1AHTR1A
SCHEMBL5775332 0.71 TMEM97 (0.45) CPT2CPT1AHTR1A
SCHEMBL22319858 0.71 ABHD6 (0.55) ACACBCPT2CPT1AALDH1A1ABHD6
SCHEMBL5777671 0.71 CHRNB4 (0.51) CPT2CPT1A
SCHEMBL28864977 0.70 ABHD6 (0.49) KDM4ECPT2CPT1AKMT2AALDH1A1
SCHEMBL5775315 0.70 ABHD6 (0.46) CPT2CPT1AGAAKMT2AALDH1A1
SCHEMBL5773186 0.70 HRH3 (0.47) ACACBCPT2CPT1AKMT2AALDH1A1

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 KDM4E 2413/4885TDP1 1558/4885ACACB 2264/4885

“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.