SCHEMBL270823

SCHEMBL270823

CCCN1CCN(c2cccc(C(C)(C)C)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.64
SIGMAR1 Q99720 3/20 0.61
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KCNH2 Q12809 2/20 0.50
DRD3 P35462 1/20 0.50
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL2927397 0.87 ALDH1A1 (0.77) DRD2SIGMAR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL270705 0.87 DRD2 (0.51) DRD2SIGMAR1ALDH1A1SMN1; SMN2KCNH2
Ammonia Solution, Strong SCHEMBL11284383 0.85 ALDH1A1 (0.75) DRD2SIGMAR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL11947326 0.82 ADRA2C (0.61) SIGMAR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL271336 0.81 DRD2 (0.64) DRD2SIGMAR1SMN1; SMN2MAPT
SCHEMBL14346827 0.80 ALDH1A1 (0.64) DRD2SIGMAR1ALDH1A1SMN1; SMN2DRD3
SCHEMBL14218788 0.80 KCNH2 (0.77) DRD2SIGMAR1KCNH2DRD3HTR7
SCHEMBL13763204 0.79 KCNH2 (0.55) DRD2SIGMAR1KCNH2DRD3HTR7
SCHEMBL12017183 0.79 ALDH1A1 (0.49) SIGMAR1ALDH1A1TSHRMAPTMAPK1
SCHEMBL13875120 0.78 SIGMAR1 (0.69) DRD2SIGMAR1ALDH1A1SMN1; SMN2DRD3

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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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 (2 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 DRD2 2424/4885SIGMAR1 1178/4885ALDH1A1 3235/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B DRD2 4732/4885SIGMAR1 4142/4885ALDH1A1 1825/4885

“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.