SCHEMBL742433

SCHEMBL742433

Cn1cnc(C2(O)CCc3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 1/20 0.38
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 6/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
KDM1A O60341 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL6902549 0.74 SIGMAR1 (0.43) TSHRSIGMAR1KDM1ACHRM2CHRM4
SCHEMBL8865243 0.74 TSHR (0.38) MAPK1SMN1; SMN2TSHRKDM1A
SCHEMBL769096 0.70 ENPP2 (0.37) MAPK1TSHRSIGMAR1TP53KDM1A
SCHEMBL6289733 0.68 KDM1A (0.41) MAPK1SMN1; SMN2TSHRSIGMAR1KDM1A
SCHEMBL19130585 0.68 KDM1A (0.41) MAPK1SMN1; SMN2TSHRSIGMAR1KDM1A
SCHEMBL9324682 0.68 TSHR (0.35) TSHR
SCHEMBL3053835 0.68 KDM1A (0.43) MAPK1SMN1; SMN2TSHRKDM1ACHRM2
SCHEMBL5796055 0.68 HDAC9 (0.50) TSHRSIGMAR1ALDH1A1TP53KDM1A
SCHEMBL19130584 0.68 HDAC9 (0.50) TSHRSIGMAR1ALDH1A1TP53KDM1A
SCHEMBL31511343 0.67 BACE1 (0.37) MAPK1SMN1; SMN2BACE1SIGMAR1ALDH1A1

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-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 MAPK1 1385/4885SMN1; SMN2 4484/4885BACE1 2703/4885

“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.