SCHEMBL12339291

SCHEMBL12339291

CC(C)CN(C)CC1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ GHSR Q92847 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MLNR O43193 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ CHRM5 P08912 1/20 0.41

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
SCHEMBL12339290 0.95 GHSR (0.36) SLC6A2SLC6A4SLC6A3GHSRCYP2D6
SCHEMBL9874402 0.86 FDPS (0.39) SLC6A2SLC6A4SLC6A3GHSRCYP2D6
SCHEMBL19201806 0.85 PIK3CD (0.34) PIK3CD
SCHEMBL9875328 0.84 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3GHSRCYP2D6
SCHEMBL13309421 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3GHSRCYP2D6
SCHEMBL9121250 0.79 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3GHSRCYP2D6
SCHEMBL4158323 0.79 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3GHSRCYP2D6
SCHEMBL17484303 0.78 FDPS (0.42) SLC6A2SLC6A4SLC6A3GHSRCYP2D6
SCHEMBL9875089 0.78 KMT2A (0.43) SLC6A2SLC6A4SLC6A3GHSRCYP2D6
SCHEMBL26723734 0.78 KMT2A (0.43) SLC6A2SLC6A4SLC6A3GHSRCYP2D6

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.

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