SCHEMBL3274284

SCHEMBL3274284

O=C(O)N1CCCC2(CCN(Cc3ccccc3)C2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.50
CYP3A4 P08684 8/20 0.50
TSHR P16473 5/20 0.50
RIPK1 Q13546 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
SIGMAR1 Q99720 4/20 0.46
TP53 P04637 1/20 0.46
DRD2 P14416 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2B P41595 1/20 0.46
MTOR P42345 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL3267961 0.86 CYP2D6 (0.49) CYP2D6CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL3269979 0.84 CYP2D6 (0.47) CYP2D6CYP3A4TSHRRIPK1CYP1A2
SCHEMBL14359323 0.78 DOCK5 (0.57) CYP2D6CYP3A4TSHRCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL5422229 0.77 DOCK5 (0.56) CYP2D6CYP3A4TSHRSIGMAR1DRD2
SCHEMBL17611730 0.74 CYP2D6 (0.47) CYP2D6CYP3A4TSHRRIPK1CYP1A2
SCHEMBL3273039 0.74 CYP2D6 (0.46) CYP2D6CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL3268276 0.74 LTA4H (0.54) CYP2D6CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL23289929 0.73 HDAC1 (0.64) CYP2D6CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL19693299 0.73 CYP2D6 (0.54) CYP2D6CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL13100265 0.72 NR3C1 (0.50) CYP2D6CYP3A4TSHRCYP1A2CYP2C19

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-8071773-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTISAG (CH) 2011-12-06 US disclosed
EP-1885724-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-06-23 EP disclosed
US-20090111840-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2009-04-30 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-20090111840-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 CYP2D6 131/4885CYP3A4 147/4885TSHR 1212/4885

“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.