SCHEMBL12339286

SCHEMBL12339286

CC(C)CN(C)CC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.38
SLC6A4 P31645 16/20 0.38
SLC6A3 Q01959 9/20 0.36
EP300 Q09472 1/20 0.34
PIK3CD O00329 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
SCHEMBL12339289 0.89 SLC6A1 (0.36) SLC6A2SLC6A4SLC6A3PIK3CD
SCHEMBL178461 0.85 PIK3CD (0.39) PIK3CD
SCHEMBL14421947 0.83 EP300 (0.38) EP300
SCHEMBL23374802 0.81 PIK3CD (0.36) PIK3CD
SCHEMBL16549332 0.81 PIK3CD (0.36) PIK3CD
SCHEMBL23567951 0.81 PIK3CD (0.38) SLC6A2SLC6A4SLC6A3PIK3CD
Hydrochloric Acid SCHEMBL5570678 0.81 EP300 (0.40) EP300
SCHEMBL3439850 0.81 HTR2C (0.38) SLC6A2SLC6A4EP300
SCHEMBL6332440 0.79 ADRA1B (0.37) PIK3CD
SCHEMBL13309416 0.78 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3

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 SLC6A2 4686/4885SLC6A4 4567/4885SLC6A3 4869/4885

“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.