SCHEMBL632458

SCHEMBL632458

Fc1cc(CN2CCC(F)(F)CC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SIGMAR1 Q99720 6/20 0.47
CXCR3 P49682 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
OPRL1 P41146 3/20 0.45
DRD4 P21917 4/20 0.44
TMEM97 Q5BJF2 1/20 0.44
OPRM1 P35372 1/20 0.42
GPR183 P32249 1/20 0.41
GRM2 Q14416 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
SCHEMBL6306548 0.82 ALDH1A1 (0.72) POLBSMN1; SMN2ALDH1A1HTTSIGMAR1
SCHEMBL26117280 0.81 POLB (0.51) POLBSMN1; SMN2ALDH1A1HTTSIGMAR1
Hydrochloric Acid SCHEMBL16825107 0.81 ALDH1A1 (0.70) POLBSMN1; SMN2ALDH1A1HTTSIGMAR1
SCHEMBL1507019 0.80 HRH3 (0.52) ALDH1A1SIGMAR1HRH3OPRL1
SCHEMBL17696101 0.79 SIGMAR1 (0.54) POLBSMN1; SMN2ALDH1A1HTTSIGMAR1
SCHEMBL632550 0.79 HRH3 (0.59) POLBSMN1; SMN2ALDH1A1HTTSIGMAR1
SCHEMBL19083785 0.77 HRH3 (0.61) POLBSMN1; SMN2ALDH1A1HTTSIGMAR1
SCHEMBL4033714 0.77 SIGMAR1 (0.51) POLBSMN1; SMN2ALDH1A1HTTSIGMAR1
SCHEMBL19075557 0.77 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1HTTSIGMAR1
SCHEMBL31464802 0.76 ALDH1A1 (0.41) ALDH1A1HTTSIGMAR1HRH3GRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459252-A Imidazole-substituted pyrimidines for the treatment of glycogen synthase kinase 3 related diseases such as alzheimer's disease ASTRAZENECA AB 2012-05-16 CN disclosed
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
EP-2419425-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2012-02-22 EP disclosed
WO-2010120237-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-10-21 WO disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 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-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease GSK3A, GSK3B, PYGB POLB 937/4885SMN1; SMN2 1134/4885ALDH1A1 2520/4885
US-20100267723-A1 Imidazole Substituted Pyrimidines GSK3B, GSK3A, STK3 POLB 1056/4885SMN1; SMN2 1176/4885ALDH1A1 2726/4885

“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.