SCHEMBL5778766

SCHEMBL5778766

CN1CCC(Oc2cccc3c2CCN(C(=O)O)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
HRH1 P35367 2/20 0.46
ACACB O00763 2/20 0.45
ABHD6 Q9BV23 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TIPARP Q7Z3E1 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM3 P20309 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
PDE4B Q07343 3/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43

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
SCHEMBL17607362 0.90 ACACB (0.51) ACACBABHD6PDE4BCPT2CPT1A
SCHEMBL5774902 0.82 CPT2 (0.45) ACACBABHD6PDE4BCPT2CPT1A
SCHEMBL17583926 0.77 KDM1A (0.53) ACACBABHD6PDE4B
SCHEMBL5777671 0.75 CHRNB4 (0.51) CPT2CPT1A
SCHEMBL5775315 0.74 ABHD6 (0.46) SMN1; SMN2ABHD6MEN1KMT2AMAPT
SCHEMBL28864977 0.74 ABHD6 (0.49) KDM4EABHD6MEN1KMT2ACPT2
SCHEMBL5773562 0.74 KDM4E (0.43) KDM4ESMN1; SMN2ACACBABHD6MEN1
SCHEMBL22319858 0.72 ABHD6 (0.55) SMN1; SMN2ACACBABHD6CPT2CPT1A
SCHEMBL5776030 0.72 CD44 (0.44) KDM4ESMN1; SMN2NPY1RNPY2RHRH1
SCHEMBL20983789 0.72 ABHD6 (0.69) SMN1; SMN2ACACBABHD6CPT2CPT1A

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 2413/4885SMN1; SMN2 3472/4885NPY1R 95/4885

“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.