SCHEMBL4229148

SCHEMBL4229148

CN1CCCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.63
CHKA P35790 1/20 0.59
KDM4E B2RXH2 1/20 0.58
F10 P00742 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
LMNA P02545 3/20 0.58
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 1/20 0.57
NCF1 P14598 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
STAT1 P42224 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
Hydrochloric Acid SCHEMBL5398809 0.98 CHEK1 (0.62) CHEK1CHKAKDM4EF10NPC1
SCHEMBL63450 0.93 CHEK1 (0.70) CHEK1KDM4ENPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL1222378 0.91 CHEK1 (0.68) CHEK1KDM4ENPC1RAB9ALMNA
SCHEMBL20193318 0.89 KDM4E (0.65) CHEK1KDM4ENPC1RAB9ALMNA
SCHEMBL22442320 0.88 KDM4E (0.67) CHEK1KDM4ENPC1RAB9ALMNA
SCHEMBL3822792 0.85 CHEK1 (0.63) CHEK1CHKAKDM4EF10NPC1
Trifluoroacetic Acid SCHEMBL27763631 0.84 CHEK1 (0.60) CHEK1KDM4ENPC1RAB9ALMNA
SCHEMBL419882 0.84 ALDH1A1 (0.69) KDM4ENPC1RAB9ALMNATP53
SCHEMBL23610369 0.84 KDM4E (0.71) CHEK1KDM4ENPC1RAB9ALMNA
SCHEMBL17737082 0.84 KDM4E (0.71) CHEK1KDM4ENPC1RAB9ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R CHEK1 4687/4885CHKA 1884/4885KDM4E 1604/4885

“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.