SCHEMBL5776030

SCHEMBL5776030

CN1CCC(Oc2cccc3c2CCNC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
TIPARP Q7Z3E1 1/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL17585072 0.86 CD44 (0.49) CD44HTR2CHTR2BHRH3HRH1
Hydrochloric Acid SCHEMBL17583922 0.85 CD44 (0.47) CD44HTR2CHTR2BHRH3HRH1
SCHEMBL4716663 0.82 CD44 (0.45) CD44CD274TIPARPHTR2CHTR2B
SCHEMBL5777017 0.82 CD44 (0.42) CD44CD274HTR2CHTR2BHRH3
SCHEMBL2358135 0.75 PNMT (0.56) CD44CD274HTR2CHTR2B
SCHEMBL31233660 0.75 PNMT (0.56) CD44CD274HTR2CHTR2B
SCHEMBL29942325 0.74 HRH1 (0.51) TIPARPHRH1
Hydrochloric Acid SCHEMBL33527957 0.73 PNMT (0.55) CD44CD274HTR2CHTR2B
Hydrochloric Acid SCHEMBL1124611 0.73 PNMT (0.55) CD44CD274HTR2CHTR2B
SCHEMBL4786874 0.73 DRD2 (0.52) TIPARPKDM4ENPY1RNPY2RSMN1; SMN2

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 CD44 4761/4885CD274 4606/4885TIPARP 4543/4885

“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.