SCHEMBL3022366

SCHEMBL3022366

CC(C)(C)OC(=O)N1CCC(CBr)(c2ccc(Br)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.48
TACR1 P25103 1/20 0.48
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
FPR2 P25090 5/20 0.43
FPR3 P25089 3/20 0.43
CCR5 P51681 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
ESRRB O95718 1/20 0.41
ESR1 P03372 1/20 0.41
ESRRA P11474 1/20 0.41
ESRRG P62508 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 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
SCHEMBL1938618 0.90 RORC (0.48) RORCTACR1JAK2JAK1FPR2
SCHEMBL1939196 0.86 RORC (0.46) RORCTACR1JAK2JAK1FPR2
SCHEMBL1200040 0.84 RORC (0.53) RORCTACR1JAK2JAK1FPR2
SCHEMBL1199600 0.83 RORC (0.51) RORCJAK2JAK1FPR2FPR3
SCHEMBL16764525 0.83 RORC (0.53) RORCJAK2JAK1FPR2FPR3
SCHEMBL4630446 0.82 RORC (0.50) RORCJAK2JAK1FPR2FPR3
SCHEMBL23533817 0.81 RORC (0.44) RORCTACR1JAK2JAK1FPR2
SCHEMBL1427288 0.81 RORC (0.49) RORCJAK2JAK1FPR2FPR3
SCHEMBL12988312 0.81 TSHR (0.53) RORCTACR1JAK2JAK1FPR2
SCHEMBL30508386 0.80 RORC (0.47) RORCTACR1JAK2JAK1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 RORC 2310/4885TACR1 2078/4885JAK2 203/4885

“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.