SCHEMBL4237209

SCHEMBL4237209

NCC12CN(C(=O)O)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.41
CHRM2 P08172 3/20 0.41
CHRM3 P20309 1/20 0.41
TSHR P16473 3/20 0.39
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 3/20 0.39
OPRL1 P41146 3/20 0.39
MAPK1 P28482 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
USP2 O75604 1/20 0.39
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL4454901 0.87 CYP2D6 (0.42) CYP2D6CHRM2CHRM3TSHRCYP3A4
SCHEMBL4522977 0.87 CYP2D6 (0.47) CYP2D6CHRM2CHRM3TSHRCYP3A4
SCHEMBL4519652 0.85 CYP2D6 (0.41) CYP2D6CHRM2CHRM3TSHRCYP3A4
SCHEMBL4452402 0.79 CYP2D6 (0.33) CYP2D6CHRM2CHRM3TSHRCYP3A4
SCHEMBL6079416 0.78 CYP2D6 (0.45) CYP2D6CHRM2CHRM3TSHRCYP3A4
SCHEMBL4454104 0.77 POLB (0.44) ALDH1A1MAPK1SIGMAR1
SCHEMBL4449570 0.76 POLB (0.43) ALDH1A1L3MBTL1
SCHEMBL4534459 0.76 SIGMAR1 (0.44) CYP2D6CHRM2CHRM3TSHRCYP3A4
SCHEMBL4527417 0.75 CYP2D6 (0.46) CYP2D6CHRM2CHRM3TSHRCYP3A4
SCHEMBL4564514 0.74 F10 (0.60) CYP2D6TSHRCYP3A4ALDH1A1MAPK1

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-20090170844-A1 Spiro Tetracyclic Compound MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 US disclosed
EP-2020411-A1 SPIRO TETRACYCLIC COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-02-04 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-20090170844-A1 Spiro Tetracyclic Compound KCNH1, TFPI, KCNN2 CYP2D6 369/4885CHRM2 3831/4885CHRM3 3619/4885

“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.