SCHEMBL4532137

SCHEMBL4532137

COCC12CNCC(=O)N1CC1(CCN(C(C)=O)CC1)CN2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.33
TSHR P16473 5/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 3/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 3/20 0.32
HPGD P15428 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL4523571 0.73 KDM4E (0.31) ALDH1A1
SCHEMBL4529575 0.68 TACR1 (0.30) USP2HPGD
SCHEMBL14345001 0.67
SCHEMBL4526398 0.67 CYP2D6 (0.48) CYP2D6TSHRALDH1A1CYP2C19MAPK1
SCHEMBL994307 0.62 USP2 (0.47) CYP2D6TSHRALDH1A1CYP2C19MAPK1
SCHEMBL26053291 0.61 CYP1A2 (0.39) CYP2D6TSHRALDH1A1CYP2C19MAPK1
Hydrochloric Acid SCHEMBL29172907 0.61 USP2 (0.46) CYP2D6TSHRALDH1A1CYP2C19MAPK1
SCHEMBL15305225 0.60 EPHX2 (0.38) CYP2D6TSHRALDH1A1CYP2C19MAPK1
SCHEMBL26783934 0.60 USP2 (0.60) CYP2D6TSHRALDH1A1CYP2C19MAPK1
SCHEMBL20669201 0.60 ALDH1A1 (0.44) CYP2D6TSHRALDH1A1CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A CYP2D6 465/4885TSHR 561/4885ALDH1A1 2791/4885

“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.