SCHEMBL5776465

SCHEMBL5776465

O=C(O)N1CCc2c(CN3CCOCC3)cccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A13 Q16696 5/20 0.44
▸ CYP2C9 P11712 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ AKT1 P31749 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 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
SCHEMBL5777006 0.86 SMN1; SMN2 (0.44) CYP3A4CYP2D6NAMPTKDM4EALDH1A1
SCHEMBL5774994 0.81 KDM4E (0.41) CYP3A4CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL18584701 0.80 ABHD6 (0.43) HSD17B10KDM4EALDH1A1MAPTTSHR
SCHEMBL5775730 0.79 KDM4E (0.39) NAMPTKDM4EL3MBTL1
SCHEMBL28901639 0.79 ABHD6 (0.41) HSD17B10KDM4EMAPTTSHR
SCHEMBL16268894 0.79 S1PR5 (0.40) HSD17B10KDM4EALDH1A1MAPTTSHR
SCHEMBL30239408 0.78 ALDH1A1 (0.42) HSD17B10CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL28245902 0.76 S1PR5 (0.51) HSD17B10KDM4EMAPTTSHRL3MBTL1
SCHEMBL30368301 0.75 DDB1 (0.48) CYP2A13NAMPTPIK3CA
SCHEMBL25669124 0.75 DDB1 (0.48) CYP2A13NAMPTPIK3CA

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 CYP2A13 122/4885CYP2C9 357/4885ALOX15 20/4885

“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.

Send feedback