SCHEMBL12339290

SCHEMBL12339290

CC(C)CN(C)CC1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 12/20 0.36
▸ CYP2D6 P10635 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MLNR O43193 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34

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
SCHEMBL12339291 0.95 SLC6A2 (0.41) GHSRCYP2D6MEN1ALDH1A1LMNA
SCHEMBL19201806 0.86 PIK3CD (0.34) —
SCHEMBL9874402 0.81 FDPS (0.39) GHSRCYP2D6MEN1ALDH1A1LMNA
SCHEMBL24467136 0.80 GHSR (0.36) GHSRCYP2D6MEN1ALDH1A1LMNA
SCHEMBL13309419 0.80 GHSR (0.36) GHSRCYP2D6MEN1ALDH1A1LMNA
SCHEMBL9875328 0.79 CYP2D6 (0.40) GHSRCYP2D6MEN1ALDH1A1LMNA
SCHEMBL4520902 0.79 CHRNB2 (0.35) GHSRCYP2D6MEN1ALDH1A1LMNA
SCHEMBL12102102 0.77 GHSR (0.38) GHSRCYP2D6MEN1ALDH1A1LMNA
SCHEMBL21165727 0.77 GHSR (0.38) GHSRCYP2D6MEN1ALDH1A1LMNA
SCHEMBL588857 0.76 — —

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-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 — — US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 — — 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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE GHSR 4770/4885CYP2D6 2087/4885MEN1 4871/4885

“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.

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