SCHEMBL3734895

SCHEMBL3734895

CCC(C(=O)O)n1cnc(C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CPB2 Q96IY4 3/20 0.31
CPA1 P15085 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL30268898 0.78 PSEN1 (0.33)
SCHEMBL564944 0.74 KDM4C (0.34) KDM4CAGTR1AGTR2KDM4EALDH1A1
SCHEMBL19789308 0.73 KDM5A (0.32) KDM4C
SCHEMBL30268858 0.69
SCHEMBL30268892 0.69
SCHEMBL30825009 0.68
SCHEMBL22185207 0.67
SCHEMBL30268929 0.67 KDM5A (0.52) KDM4CALDH1A1
SCHEMBL19789327 0.67 BRD4 (0.34)
SCHEMBL30268927 0.67 KDM5B (0.49) KDM4CKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 KDM4C 999/4885AGTR1 662/4885AGTR2 1052/4885

“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.