SCHEMBL3735694

SCHEMBL3735694

CCC(C(=O)O)n1cncc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCB11 O95342 1/20 0.35
GABRA2 P47869 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 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
SCHEMBL28180945 0.77 CYP11B1 (0.35) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL3733939 0.69 CASP1 (0.34) POLBALDH1A1KDM4EMAPK1HPGD
SCHEMBL24966825 0.67 ALDH1A1 (0.59) GABRA1GABRB2CYP11B1CYP11B2CYP1A2
SCHEMBL3734895 0.66 KDM4C (0.34) POLBALDH1A1KDM4EMAPK1HPGD
SCHEMBL3731593 0.66 JAK2 (0.41) POLBALDH1A1KDM4EMAPK1HPGD
SCHEMBL2422312 0.65
SCHEMBL19964740 0.65 CYP11B1 (0.45) POLBCYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL3631560 0.65 CYP11B1 (0.45) POLBCYP11B1CYP11B2LMNAALDH1A1
SCHEMBL1238712 0.64 POLB (0.35) POLBLMNACYP2C9CYP2C19ALDH1A1
SCHEMBL7493063 0.62 CYP11B1 (0.46) CYP11B1CYP11B2LMNAALDH1A1KDM4E

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
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
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP 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 POLB 3995/4885GABRA1 1864/4885GABRB2 3504/4885

“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.